SCHEMBL40319

SCHEMBL40319

CC(CC(NC(=O)c1ccc(NCc2cnc3nc(N)[nH]c(=O)c3n2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 4/20 0.77
▸ TYMS P04818 3/20 0.77
▸ KDM4E B2RXH2 1/20 0.77
▸ MEN1 O00255 1/20 0.77
▸ ALDH1A1 P00352 1/20 0.77
▸ POLB P06746 1/20 0.77
▸ GAA P10253 1/20 0.77
▸ HPGD P15428 1/20 0.77
▸ TSHR P16473 1/20 0.77
▸ PTGS2 P35354 1/20 0.77
▸ KMT2A Q03164 1/20 0.77
▸ HSD17B10 Q99714 1/20 0.77
▸ TDP1 Q9NUW8 1/20 0.77
▸ ADORA3 P0DMS8 1/20 0.56
▸ DHFR P00374 5/20 0.55
▸ GART P22102 2/20 0.51
▸ ATIC P31939 1/20 0.51
▸ NOS1 P29475 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16150298 1.00 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL14323639 1.00 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30185625 1.00 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL2273314 0.94 AKR1B1 (0.73) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL1804092 0.94 TYMS (0.70) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL17061093 0.94 AKR1B1 (0.73) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL30174303 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL15094347 0.92 AKR1B1 (0.81) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28141926 0.92 AKR1B1 (0.77) AKR1B1TYMSKDM4EMEN1ALDH1A1
SCHEMBL28226859 0.91 AKR1B1 (0.80) AKR1B1TYMSKDM4EMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 911 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122056386-A Moisture absorption resistant slow release microcapsule powder and preparation method and application thereof 大连医诺生物股份有限公司 2026-05-19 — — CN claimed
CN-122030612-A Shear-resistant slow-release microcapsule powder and preparation method and application thereof 大连医诺生物股份有限公司 2026-05-15 — — CN claimed
US-20260131089-A1 DRUG DELIVERY DEVICES AND METHODS FOR ADMINISTERING SUBSTANCES TO A BODY CAVITY BY HETEROGENOUS AEROSOLIZATION FOR TREATMENT OF BINGE-EATING DISORDERS AND/OR OBESITY APTARGROUP, INC. (US) 2026-05-14 — — US claimed
US-20260114488-A1 COMPOSITIONS AND METHODS FOR PROMOTING DEVELOPMENT OF INFANT BOBBIE BABY INC (US) 2026-04-30 — — US claimed
US-20260014090-A1 NANOPARTICLES FOR TARGETED NON-SURGICAL SPAYING AND NEUTERING UNIV GEORGIA (US) 2026-01-15 — — US claimed
US-12521354-B2 Nanoparticles for targeted non-surgical spaying and neutering UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2026-01-13 — — US claimed
US-20250375414-A1 UROLITHIN COMBINATIONS AMAZENTIS SA (CH) 2025-12-11 — — US claimed
US-12491325-B2 Drug delivery devices and methods for administering substances to a body cavity by heterogenous aerosolization for treatment of binge-eating disorders and/or obesity APTARGROUP, INC. (US) 2025-12-09 — — US claimed
EP-4633638-A1 TREATMENT OF PSYCHOLOGICAL FACTORS AFFECTING OTHER MEDICAL CONDITIONS (PFAOMC) Luminous Mind Inc. (US) 2025-10-22 — — EP claimed
US-20250288532-A1 NANOPARTICLES FOR TREATING PROSTATE CANCER UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. 2025-09-18 — — US claimed
US-20120004238-A1 L-methylfolate treatment for psychiatric or neurologic disorders QUILLIN ROBERT L (US) 2012-01-05 — — US claimed
WO-2012003073-A1 L-METHYLFOLATE TREATMENT FOR PSYCHIATRIC OR NEUROLOGIC DISORDERS QUILLIN ROBERT L (US) 2012-01-05 — — WO claimed
WO-2011163301-A1 METHODS OF TREATING OPTIC DISORDERS GLOBAL HEALTHCARE FOCUS, LLC (US) 2011-12-29 — — WO claimed
US-20110319356-A1 Methods Of Treating Optic Disorders GLOBAL HEALTHCARE FOCUS, LLC 2011-12-29 — — US claimed
EP-2382995-A2 Ligand conjugates of Vinca alkaloids, analogs and derivatives Endocyte, Inc. (US) 2011-11-02 — — EP claimed
EP-1501551-B1 Folate-receptor targeted imaging agents ENDOCYTE INC (US) 2009-11-18 — — EP claimed
EP-2107912-A2 OPHTHALMIC AND CONTACT LENS SOLUTIONS CONTAINING FORMS OF VITAMIN B FXS Ventures, LLC (US) 2009-10-14 — — EP claimed
WO-2008086270-A2 OPHTHALMIC AND CONTACT LENS SOLUTIONS CONTAINING FORMS OF VITAMIN B FXS VENTURES, LLC (US) 2008-07-17 — — WO claimed
US-20070104744-A1 OPHTHALMIC AND CONTACT LENS SOLUTIONS CONTAINING FORMS OF VITAMIN B FXS VENTURES, LLC 2007-05-10 — — US claimed
US-20050101605-A1 Oral liquid formulations of methotrexate DURAMED PHARMACEUTICALS, INC. 2005-05-12 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260014090-A1 NANOPARTICLES FOR TARGETED NON-SURGICAL SPAYING AND NEUTERING FSHR, GNRHR, LHCGR AKR1B1 3508/4885TYMS 2294/4885KDM4E 967/4885
US-20260131089-A1 DRUG DELIVERY DEVICES AND METHODS FOR ADMINISTERING SUBSTANCES TO A BODY CAVITY BY HETEROGENOUS AEROSOLIZATION FOR TREATMENT OF BINGE-EATING DISORDERS AND/OR OBESITY CACNG6, MC5R, CRH AKR1B1 4511/4885TYMS 4818/4885KDM4E 1694/4885
US-20250288532-A1 NANOPARTICLES FOR TREATING PROSTATE CANCER FSHR, GNRHR, AR AKR1B1 2907/4885TYMS 1048/4885KDM4E 1463/4885
US-20250375414-A1 UROLITHIN COMBINATIONS AHCY, BHMT, BHMT2 AKR1B1 2805/4885TYMS 731/4885KDM4E 3360/4885
US-20050101605-A1 Oral liquid formulations of methotrexate MTX2, MTX1, DHFR AKR1B1 736/4885TYMS 17/4885KDM4E 2601/4885
US-20260114488-A1 COMPOSITIONS AND METHODS FOR PROMOTING DEVELOPMENT OF INFANT SLC19A1, MTHFD1, MTHFD2 AKR1B1 4674/4885TYMS 29/4885KDM4E 2633/4885
US-12491325-B2 Drug delivery devices and methods for administering substances to a body cavity by heterogenous aerosolization for treatment of binge-eating disorders and/or obesity GCG, VAPA, GABRG2 AKR1B1 4128/4885TYMS 3711/4885KDM4E 2088/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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