SCHEMBL2124481

SCHEMBL2124481

CCC(C(=O)O)n1c(-c2ccccc2)cc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.64
▸ MAPT P10636 3/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ NPBWR1 P48145 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ MEN1 O00255 5/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ F2RL3 Q96RI0 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ F2R P25116 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ CASP6 P55212 1/20 0.40

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
SCHEMBL2124479 1.00 CYP19A1 (0.64) CYP19A1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2125417 0.87 CYP19A1 (0.49) CYP19A1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2123393 0.83 CYP19A1 (0.57) CYP19A1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2419185 0.83 CYP19A1 (0.69) CYP19A1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2125667 0.81 KDM4E (0.41) CYP19A1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL2420496 0.79 CYP19A1 (1.00) CYP19A1MAPTRAB9AALDH1A1MEN1
SCHEMBL2421702 0.78 CYP19A1 (0.69) CYP19A1MAPTALDH1A1MEN1KMT2A
SCHEMBL2123392 0.76 CYP19A1 (0.60) CYP19A1MAPTRAB9ANPC1ALDH1A1
SCHEMBL23320526 0.76 CYP19A1 (0.67) CYP19A1MAPTRAB9AMEN1KMT2A
SCHEMBL3660283 0.76 L3MBTL1 (0.64) CYP19A1MAPTRAB9AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20100286189-A1 (AZA)INDOLE DERIVATIVE SUBSTITUTED IN POSITION 5, PHARMACEUTICAL COMPOSITION COMPRISING IT, INTERMEDIATE COMPOUNDS AND PREPARATION PROCESS THEREFOR IDO1, CYP51A1, WEE1 CYP19A1 28/4885MAPT 3775/4885RAB9A 1779/4885

“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.

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