SCHEMBL864680

SCHEMBL864680

Nc1c(I)cc(C(=O)O)cc1I

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 5/20 0.65
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
CA12 O43570 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
CA3 P07451 1/20 0.42
MAPT P10636 1/20 0.42
SELL P14151 1/20 0.42
HPGD P15428 1/20 0.42
SELP P16109 1/20 0.42
FUT4 P22083 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL28143645 0.85 TPMT (0.54) TPMTCA1CA2CA9CA12
SCHEMBL3715241 0.85 TPMT (0.54) TPMTCA1CA2CA9CA12
SCHEMBL16064373 0.85 TPMT (0.54) TPMTCA1CA2CA9CA12
SCHEMBL5068048 0.83 TPMT (0.47) TPMTCA1CA2CA9CA12
SCHEMBL18009390 0.80 CA12 (0.56) TPMTCA1CA2CA9CA12
SCHEMBL122324 0.79 TPMT (1.00) TPMTCA1CA2CA9CA12
SCHEMBL3708951 0.79 LMNA (0.56) TPMTALDH1A1LMNAMAPTTSHR
SCHEMBL22982377 0.78 CA5A (0.46) TPMTCA1CA2CA9LMNA
SCHEMBL11878620 0.78 CA1 (0.41) TPMTCA1CA2CA9ALDH1A1
SCHEMBL1613916 0.77 TPMT (0.68) TPMTCA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-114057600-A X-ray developable molecule, drug-loaded embolism microsphere and preparation method thereof 上海汇禾医疗科技有限公司 2022-02-18 CN claimed
EP-1799791-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-01-13 EP claimed
US-7687118-B2 Photocrosslinkable materials ROLIC AG (CH) 2010-03-30 US claimed
US-20080069968-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-03-20 US claimed
EP-1799791-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2007-06-27 EP claimed
WO-2006039824-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2006-04-20 WO claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-20260049178-A1 CROSSLINKING AGENTS AND MEDICAL HYDROGELS FORMED THEREFROM BOSTON SCIENTIFIC SCIMED, INC. (US) 2026-02-19 US disclosed
US-20250180952-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-06-05 US disclosed
EP-4493638-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2025-01-22 EP disclosed
CN-118871548-A Photoalignment materials 罗利克技术有限公司 2024-10-29 CN disclosed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN disclosed
US-6214877-B1 ANTIDIABETIC AGENTS; MODULATOR OF GLUCOSE CONCENTRATION WYETH 2001-04-10 US disclosed
EP-1077929-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061410-A1 2,3,5-SUBSTITUTED BIPHENYLS USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 WO disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20260049178-A1 CROSSLINKING AGENTS AND MEDICAL HYDROGELS FORMED THEREFROM NPPA, MACF1, IGF1R TPMT 3130/4885CA1 1009/4885CA2 650/4885
US-20080069968-A1 Photocrosslinkable Materials PARG, VSIR, IGLV6-57 TPMT 4538/4885CA1 882/4885CA2 3560/4885

“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.