SCHEMBL7597875

SCHEMBL7597875

CC(=O)c1ccc(NC(=O)c2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.80
ALDH1A1 P00352 3/20 0.70
NPC1 O15118 2/20 0.70
MAPK1 P28482 2/20 0.70
RAB9A P51151 2/20 0.70
GLA P06280 1/20 0.70
CASP3 P42574 1/20 0.70
HTT P42858 1/20 0.70
SENP8 Q96LD8 1/20 0.70
SENP7 Q9BQF6 1/20 0.70
SENP6 Q9GZR1 1/20 0.70
MAPT P10636 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
ABCB1 P08183 7/20 0.62
ABCC1 P33527 5/20 0.62
POLB P06746 2/20 0.59
PHGDH O43175 1/20 0.57
AKR1C3 P42330 1/20 0.56
AKR1C2 P52895 1/20 0.56
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL6462358 0.93 HCAR3 (0.68) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL15383452 0.86 HCAR3 (0.60) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL27847056 0.84 PHGDH (0.74) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL2643864 0.84 KMT2A (0.68) HCAR3ALDH1A1HTTMAPTABCB1
SCHEMBL29793669 0.84 KMT2A (0.68) HCAR3ALDH1A1HTTMAPTABCB1
SCHEMBL10752705 0.83 HCAR3 (0.74) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL27657641 0.83 HCAR3 (0.74) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL14402986 0.82 HCAR3 (0.72) HCAR3ALDH1A1NPC1MAPK1RAB9A
SCHEMBL11341363 0.82 HCAR3 (0.79) HCAR3ALDH1A1MAPK1HTTMAPT
SCHEMBL30739620 0.82 HCAR3 (0.72) HCAR3ALDH1A1NPC1MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG L (US) 2002-04-25 US disclosed
US-6303633-B1 FOR THERAPY AND PROPHYLAXIS OF ALZHEIMER'S DISEASE PFIZER INC 2001-10-16 US disclosed
US-6124321-A Heteroaryl amines as novel acetyl cholinesterase inhibitors PFIZER INC (US) 2000-09-26 US disclosed
US-5965574-A Heteroaryl amines as novel acetylcholinesterase inhibitors CHEN YUHPYNG LIANG (US) 1999-10-12 US disclosed
CN-1035615-C heteroaryl amines as acetylcholinesterase inhitibors PFIZER (US) 1997-08-13 CN disclosed
US-5574046-A Heteroaryl amines as novel acetylcholinesterase inhibitors PFIZER INC. (US) 1996-11-12 US disclosed
EP-0606248-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS Eisai Co., Ltd. (JP) 1994-07-20 EP disclosed
CN-1071166-A Aromatic heterocycle amine as new acetylcholinesterase depressant PFIZER (US) 1993-04-21 CN disclosed
WO-1993007140-A1 HETEROARYL AMINES AS NOVEL ACETYL CHOLINESTERASE INHIBITORS PFIZER INC. (US) 1993-04-15 WO 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-20020049210-A1 Heteroaryl amines as novel acetylcholinesterase inhibitors ACHE, BCHE, CHAT HCAR3 1023/4885ALDH1A1 1418/4885NPC1 1310/4885

“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.