SCHEMBL12186

SCHEMBL12186

Cc1ccc2cnoc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.44
CYP2A6 P11509 3/20 0.44
KDM4E B2RXH2 6/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 7/20 0.38
TDP1 Q9NUW8 2/20 0.38
HSD17B10 Q99714 4/20 0.38
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
HPGD P15428 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TP53 P04637 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
NCK1 P16333 1/20 0.35

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
SCHEMBL24950248 0.84 CYP2A6 (0.48) CYP1A2CYP2A6KDM4EMAPTALDH1A1
SCHEMBL24949222 0.84 CYP2A6 (0.48) CYP1A2CYP2A6KDM4EMAPTALDH1A1
SCHEMBL2616766 0.83 CYP2A6 (0.44) CYP1A2CYP2A6KDM4EMAPTALDH1A1
SCHEMBL24439367 0.80 NPC1 (0.38) KDM4EMAPTALDH1A1TDP1RAB9A
SCHEMBL24753986 0.76 CYP1A2 (0.41) CYP1A2CYP2A6KDM4EMAPTALDH1A1
SCHEMBL24753983 0.75 ALDH1A1 (0.42) CYP1A2CYP2A6KDM4EMAPTALDH1A1
SCHEMBL3557935 0.74 NOS1 (0.44) CYP1A2CYP2A6MAPTMAOB
SCHEMBL2071647 0.74 KDM4E (0.44) KDM4EMAPTALDH1A1TDP1HSD17B10
SCHEMBL29442070 0.74 KDM4E (0.44) KDM4EMAPTALDH1A1TDP1HSD17B10
SCHEMBL8248222 0.74 NOS1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250232847-A1 WORKFLOW FOR GENERATING COMPOUNDS WITH BIOLOGICAL ACTIVITY AGAINST A SPECIFIC BIOLOGICAL TARGET INSILICO MEDICINE IP LIMITED (HK) 2025-07-17 US disclosed
US-12293809-B2 Workflow for generating compounds with biological activity against a specific biological target INSILICO MEDICINE IP LIMITED (HK) 2025-05-06 US disclosed
WO-2024133560-A1 IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS MLLT1 AND MLLT3 INHIBITORS DARK BLUE THERAPEUTICS LTD (GB) 2024-06-27 WO disclosed
US-11858907-B2 Kinase modulators RHIZEN PHARMACEUTICALS AG (CH) 2024-01-02 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS BRISTOL MYERS SQUIBB CO (US) 2023-10-05 US disclosed
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230218632-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-07-13 US disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors GLAXOSMITHKLINE LLC 2007-03-08 US disclosed
US-5340710-A Improved sensitivity KONICA CORPORATION (JP) 1994-08-23 US disclosed
EP-0439356-A1 Spectrally sensitized silver halide photographic material KONICA CORPORATION (JP) 1991-07-31 EP disclosed
EP-0323215-A2 Photosensitive silver halide photographic material KONICA CORPORATION (JP) 1989-07-05 EP disclosed
US-4053318-A SENSITIZING MEROCYANINE DYE FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 US disclosed
US-4047964-A BENZISOXAZOLE FUJI PHOTO FILM CO., LTD. (JA) 1977-09-13 US disclosed
US-4021251-A Silver halide photographic emulsions FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 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 (9 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 CYP1A2 1211/4885CYP2A6 2981/4885KDM4E 4651/4885
US-20230218632-A1 CYCLIC SULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, SNCA, PINK1 CYP1A2 3764/4885CYP2A6 4495/4885KDM4E 4764/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CYP1A2 2739/4885CYP2A6 2270/4885KDM4E 813/4885
US-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 CYP1A2 1194/4885CYP2A6 2144/4885KDM4E 722/4885
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 CYP1A2 4125/4885CYP2A6 4620/4885KDM4E 1156/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A CYP1A2 137/4885CYP2A6 44/4885KDM4E 2437/4885
US-20230312565-A1 1H-PYRROLO[3,2-C]PYRIDINE AND 1H-PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS TLR9 INHIBITORS FOR THE TREATMENT OF FIBROSIS TLR9, TLR1, TLR7 CYP1A2 4547/4885CYP2A6 4615/4885KDM4E 1092/4885
US-11858907-B2 Kinase modulators RPS6KA1, RPS6KA2, PRKAR2A CYP1A2 2024/4885CYP2A6 3540/4885KDM4E 3690/4885
US-20070054942-A1 Fused heteroaryl derivatives and their use as p38 kinase inhibitors MAPK1, MAPK7, MAPKAPK2 CYP1A2 1216/4885CYP2A6 2494/4885KDM4E 4697/4885

“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.