SCHEMBL2125182

SCHEMBL2125182

CCn1c(Cc2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 2/20 0.50
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CFTR P13569 1/20 0.44
RIPK1 Q13546 1/20 0.43
CCR2 P41597 2/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PKM P14618 1/20 0.42
PLA2G2A P14555 1/20 0.42
CNR1 P21554 1/20 0.41
ACHE P22303 1/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL2125241 0.89 KMT2A (0.52) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL2123717 0.80 CYP19A1 (0.47) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL2421702 0.79 CYP19A1 (0.69) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL2267100 0.78 OPRM1 (0.55) CYP19A1CNR1CNR2
SCHEMBL7962237 0.76 AR (0.60) KMT2AMEN1MAPTCYP19A1CFTR
SCHEMBL28790948 0.75 MAPT (0.51) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL23249918 0.75 CYP1A2 (0.57) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL21774723 0.75 CYP1A2 (0.57) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL29874180 0.75 CYP1A2 (0.57) KMT2AMEN1MAPTLMNACYP1A2
SCHEMBL11616337 0.75 CCR2 (0.57) CYP19A1CFTRCCR2PLA2G2A

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-8871948-B2 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2014-10-28 US disclosed
EP-2444392-B1 Intermediary (aza)indole derivative substituted in position 5 ACRAF (IT) 2014-09-24 EP disclosed
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR AZIENDE CHIMICHE RIUNITE ANGELIN FRANCESCO A.C.R.A.F. S.P.A. (IT) 2013-06-20 US disclosed
EP-2234968-B1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR ACRAF (IT) 2013-03-27 EP disclosed
US-8399477-B2 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESO A.C.R.A.F. S.P.A. (IT) 2013-03-19 US disclosed
CN-101910127-B (AZA) INDOLE DERIVATIVE SUBSTITUTED IN THE 5 POSITION, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, INTERMEDIATE COMPOUND AND PROCESS FOR PREPARING THE SAME ACRAF 2013-01-23 CN disclosed
EP-2444392-A1 (Aza)indole derivative substituted in position 5, pharmaceutical composition comprising it, intermediate compounds and preparation process therefor Aziende Chimiche Riunite Angelini Francesco A.C.R.A.F. S.p.A. (IT) 2012-04-25 EP disclosed
CN-101910127-A (AZA) INDOLE DERIVATIVE SUBSTITUTED IN THE 5 POSITION, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, INTERMEDIATE COMPOUND AND PROCESS FOR PREPARING THE SAME ACRAF 2010-12-08 CN disclosed
US-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR Aziende Chim. Riun.Ang.Franc. A.C.R.A.F.S.P.A. (IT) 2010-11-11 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-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 KMT2A 1124/4885MEN1 860/4885MAPT 3775/4885
US-20130158269-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 KMT2A 1124/4885MEN1 860/4885MAPT 3775/4885

“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.