SCHEMBL785178

SCHEMBL785178

O=C(O)c1cn(F)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.49
AKR1C1 Q04828 1/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.45
PLK1 P53350 3/20 0.44
LMNA P02545 2/20 0.44
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 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
SCHEMBL30747701 0.87 LMNA (0.59) ALDH1A1KDM4ELMNA
SCHEMBL7545236 0.87 LMNA (0.59) ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL27329066 0.86 LMNA (0.57) ALDH1A1KDM4ELMNA
Oxalic Acid SCHEMBL27853164 0.83 LMNA (0.55) ALDH1A1KDM4ELMNA
SCHEMBL27324947 0.83 LMNA (0.55) ALDH1A1KDM4ELMNA
Acetic Acid SCHEMBL27339243 0.83 LMNA (0.55) ALDH1A1KDM4EPOLBLMNA
SCHEMBL784673 0.83 KDM4E (0.44) ALDH1A1KDM4EPOLBLMNAFABP4
Sulfuric Acid SCHEMBL27334527 0.82 CHRM1 (0.56) AKR1C3AKR1C1KDM4ELMNAFABP3
Toluene SCHEMBL27351014 0.81 LMNA (0.52) ALDH1A1KDM4ELMNAMAPT
SCHEMBL22810540 0.80 CREBBP (0.51) ALDH1A1KDM4ELMNAHTT

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104193741-A QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS INC 2014-12-10 CN claimed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN claimed
CN-105593211-A Indol and indazol derivatives HOFFMANN LA ROCHE 2016-05-18 CN disclosed
CN-102757422-B The derivative of N-[(1H-pyrazol-1-yl) aryl]-1H-indoles or 1H-indazole-3-methane amide, its preparation method and application in the treatment thereof SAI NUOFEI (FR) 2015-09-16 CN disclosed
CN-104193741-A QUINUCLIDIN-4-YLMETHYL 1H-INDOLE-3-CARBOXYLATE DERIVATIVES AS ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE COMENTIS INC 2014-12-10 CN disclosed
CN-103347874-B dimeric IAP inhibitors NOVARTIS AG (CH) 2014-10-29 CN disclosed
CN-103619834-A Derivatives of N-[(1H-pyrazol-1-yl)aryl]-1H-indole or 1H-indazole-3-carboxamide, their preparation and their use as P2Y12 antagonists SANOFI SA 2014-03-05 CN disclosed
CN-101835779-B Purine derivatives useful as PI3 kinase inhibitors HOFFMANN LA ROCHE 2014-01-29 CN disclosed
CN-103402996-A Indole compounds or analogues thereof useful for the treatment of age-related macular degeneration (AMD) NOVARTIS AG 2013-11-20 CN disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 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 (1 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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP AKR1C3 2302/4885AKR1C1 3346/4885ALDH1A1 1067/4885

“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.