SCHEMBL2998545

SCHEMBL2998545

O=Cc1cccc([N+](=O)[O-])n1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.47
ERN1 O75460 2/20 0.42
CCR1 P32246 1/20 0.39
RXRA P19793 1/20 0.37
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 3/20 0.34
PDE10A Q9Y233 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL29956214 1.00 TERT (0.47) TERTERN1CCR1RXRALMNA
SCHEMBL3294386 0.80 TSHR (0.46) RXRALMNATSHRALDH1A1MAPT
SCHEMBL9000446 0.79 KMT2A (0.41) RXRALMNATSHRALDH1A1NPC1
SCHEMBL303150 0.75 CCR1 (0.55) TERTCCR1LMNAALDH1A1TDP1
SCHEMBL3144065 0.74 LMNA (0.41) CCR1LMNATSHRALDH1A1MAPT
Hydrochloric Acid SCHEMBL27613798 0.73 CCR1 (0.52) TERTCCR1LMNAALDH1A1TDP1
SCHEMBL17598049 0.72 ERN1 (0.42) ERN1RXRALMNAALDH1A1NPC1
SCHEMBL19456924 0.72 TERT (0.53) TERTLMNAALDH1A1NPC1RAB9A
SCHEMBL873623 0.71 TSHR (0.43) LMNATSHRALDH1A1MAPTTDP1
SCHEMBL3865531 0.71 GPR35 (0.45) ERN1LMNATSHRALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101367891-B Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof UNIV SOUTH CENTRAL NATIONALITI 2010-09-08 CN claimed
CN-101367891-A Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof SOUTH CENTRAL UNIVERSITY FOR N (CN) 2009-02-18 CN claimed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
CN-101367891-B Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof UNIV SOUTH CENTRAL NATIONALITI 2010-09-08 CN disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-2167465-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER Boehringer Ingelheim International GmbH (DE) 2010-03-31 EP disclosed
CN-101367891-A Nitrogen-nitrogen-oxygen nickel complex catalytic system for addition polymerisation of norbornene and its derivant, preparation method and uses thereof SOUTH CENTRAL UNIVERSITY FOR N (CN) 2009-02-18 CN disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 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 (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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TERT 1999/4885ERN1 3220/4885CCR1 1197/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 TERT 1999/4885ERN1 3220/4885CCR1 1197/4885

“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.