SCHEMBL17264641

SCHEMBL17264641

Cc1ccc2c(c1)CCc1c(C(=O)O)noc1-2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
RAB9A P51151 13/20 0.55
SMN1; SMN2 Q16637 13/20 0.55
NPC1 O15118 12/20 0.55
ALDH1A1 P00352 9/20 0.55
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 5/20 0.51
LMNA P02545 3/20 0.51
RECQL P46063 2/20 0.51
TP53 P04637 5/20 0.50
MAPK1 P28482 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 5/20 0.49
NFKB1 P19838 1/20 0.49

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
SCHEMBL11902893 0.84 SMN1; SMN2 (0.56) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11903011 0.83 SMN1; SMN2 (0.72) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17264636 0.83 SMURF2 (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12076503 0.82 RAB9A (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17264640 0.81 S1PR1 (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17264300 0.81 SMN1; SMN2 (0.60) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12076543 0.81 RAB9A (0.46) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17261642 0.80 SMURF2 (0.59) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11902861 0.80 RAB9A (0.64) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11965065 0.80 CYP1A2 (0.52) MAPTRAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170088546-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 US disclosed
US-20170088546-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 US disclosed
US-20170088546-A1 CARBOXAMIDE INHIBITORS NOVARTIS AG (CH) 2017-03-30 US disclosed
WO-2015173659-A2 CARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2015-11-19 WO 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-20170088546-A1 CARBOXAMIDE INHIBITORS SMURF1, SMURF2, SMYD2 MAPT 4004/4885RAB9A 3822/4885SMN1; SMN2 1490/4885

“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.