SCHEMBL104431

SCHEMBL104431

CC(C)c1ccc(C(=O)NCc2ccccc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.75
SMN1; SMN2 Q16637 3/20 0.75
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
NPC1 O15118 3/20 0.69
ALDH1A1 P00352 3/20 0.69
HDAC6 Q9UBN7 3/20 0.66
HDAC2 Q92769 1/20 0.66
HDAC8 Q9BY41 1/20 0.66
LMNA P02545 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
HPGD P15428 1/20 0.62
HDAC1 Q13547 2/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
TSHR P16473 1/20 0.60
RECQL P46063 1/20 0.60
PPARG P37231 1/20 0.59
APOBEC3A P31941 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59

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
SCHEMBL10099556 0.94 RAB9A (0.75) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL8833182 0.88 HDAC6 (0.62) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL15982289 0.86 RAB9A (0.69) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL11900090 0.86 HDAC6 (0.85) RAB9AHDAC6HDAC2HDAC8LMNA
SCHEMBL8833191 0.85 HDAC6 (0.59) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL104773 0.84 RAB9A (0.84) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL24934740 0.84 RAB9A (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL18232439 0.84 RAB9A (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL104476 0.84 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL10099559 0.84 SMN1; SMN2 (0.76) RAB9ASMN1; SMN2MEN1KMT2ANPC1

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-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-03-29 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2017-11-09 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-7432292-B2 Sulfhydantoins as phosphate isosteres VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-07 US disclosed
US-7253158-B2 Sulfonamides HOFFMANN-LA ROCHE INC. (US) 2007-08-07 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 RAB9A 3030/4885SMN1; SMN2 4581/4885MEN1 3210/4885
US-20180086748-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK RAB9A 2803/4885SMN1; SMN2 4810/4885MEN1 3562/4885
US-20170320867-A1 HETEROAROMATIC COMPOUNDS AS BTK INHIBITORS BTK, SYK, LCK RAB9A 2803/4885SMN1; SMN2 4810/4885MEN1 3562/4885

“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.