SCHEMBL427240

SCHEMBL427240

O=C(Nc1ccccc1)n1ccc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.68
RAB9A P51151 5/20 0.68
ALDH1A1 P00352 5/20 0.68
KMT2A Q03164 4/20 0.53
NPC1 O15118 3/20 0.53
SCN4A P35499 2/20 0.48
F2 P00734 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
ELANE P08246 1/20 0.46
SCN9A Q15858 2/20 0.44
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL426687 0.97 ALDH1A1 (0.69) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL426672 0.94 ALDH1A1 (0.69) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL427247 0.87 SCN4A (0.64) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL427395 0.86 RAB9A (0.58) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL424289 0.84 RAB9A (0.58) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL14028454 0.82 RAB9A (1.00) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL427254 0.82 RAB9A (0.54) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL22246679 0.82 ALDH1A1 (0.54) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL15718479 0.81 RAB9A (0.48) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1
SCHEMBL22341331 0.79 SCN4A (0.55) SMN1; SMN2RAB9AALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 SMN1; SMN2 2818/4885RAB9A 2266/4885ALDH1A1 294/4885
US-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 SMN1; SMN2 2644/4885RAB9A 1457/4885ALDH1A1 4735/4885

“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.