SCHEMBL620113

SCHEMBL620113

CCCCOC(=O)N1CCCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
PABPC1 P11940 1/20 0.58
ATM Q13315 1/20 0.58
KDR P35968 3/20 0.54
ALDH1A1 P00352 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
APAF1 O14727 1/20 0.47
CFTR P13569 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL620196 0.89 LMNA (0.74) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL10777655 0.84 SMN1; SMN2 (0.79) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL10127727 0.82 BAZ2B (0.62) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL621784 0.81 LMNA (0.50) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL620034 0.81 BAZ2B (0.86) BAZ2BSMN1; SMN2LMNAKDRALDH1A1
SCHEMBL620615 0.80 LMNA (0.87) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL11670023 0.79 SMN1; SMN2 (0.63) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL5104575 0.75 BAZ2B (0.71) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL407460 0.73 LMNA (1.00) BAZ2BSMN1; SMN2LMNAPABPC1ATM
SCHEMBL541660 0.73 LMNA (0.78) BAZ2BSMN1; SMN2LMNAPABPC1ATM

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
US-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF BORISOVICH FROLOV YEVGENIY (RU) 2012-02-16 US disclosed
EP-2062895-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF Alla Chem, LLC. (US) 2009-05-27 EP 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-20120040965-A1 SUBSTITUTED AZEPINO[4,3-B]INDOLES, PHARMACOLOGICAL COMPOSITION AND A METHOD FOR THE PRODUCTION AND USE THEREOF ABCG2, HTR3C, AADAC BAZ2B 428/4885SMN1; SMN2 3920/4885LMNA 2065/4885

“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.