SCHEMBL12297331

SCHEMBL12297331

CC(C)c1nc(-c2ccc(Br)cc2)cs1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.56
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 5/20 0.56
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 4/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 5/20 0.51
KDM4E B2RXH2 3/20 0.51
ALOX12 P18054 1/20 0.51
LTA4H P09960 1/20 0.50
GAA P10253 2/20 0.46
SREBF2 Q12772 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 1/20 0.42
POLB P06746 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
SCHEMBL2609421 0.84 RAB9A (0.53) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL22824711 0.84 MAPT (0.45) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL11883690 0.82 RAB9A (0.49) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL2513271 0.82 RAB9A (0.58) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL10052165 0.82 KMT2A (0.58) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL2609415 0.82 RAB9A (0.56) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL2222772 0.82 ATP4A (0.49) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL2754043 0.81 ALDH1A1 (0.55) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL14558317 0.81 RAB9A (0.50) RAB9AMAPTSMN1; SMN2NPC1MEN1
SCHEMBL24721298 0.79 CCR4 (0.46) RAB9AMAPTSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY (US) 2017-12-07 US disclosed
US-9809556-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2017-11-07 US disclosed
US-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis NORTHWESTERN UNIVERSITY 2016-01-21 US disclosed
US-9145424-B2 Treatment of amyotrophic lateral sclerosis NORTHWESTERN UNIVERSITY (US) 2015-09-29 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 US disclosed
US-20110237907-A1 TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS CAMBRIA PHARMACEUTICALS, INC. (US) 2011-09-29 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-20160016911-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN RAB9A 1816/4885MAPT 16/4885SMN1; SMN2 1/4885
US-20170349552-A1 Treatment of Amyotrophic Lateral Sclerosis SMN1; SMN2, SOD1, NLN RAB9A 1816/4885MAPT 16/4885SMN1; SMN2 1/4885

“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.