SCHEMBL18378652

SCHEMBL18378652

CCc1ccc(-c2nnnn2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 6/20 0.46
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
KMO O15229 1/20 0.40
TP53 P04637 1/20 0.40
HSD11B1 P28845 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP2 O95551 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL16187928 0.85 AGTR1 (0.50) SMN1; SMN2ALDH1A1
SCHEMBL709279 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL14387911 0.81 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL23828881 0.81 MAOB (0.46) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL18367841 0.81 ABCC9 (0.47) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL5966721 0.80 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL12879723 0.80 MEN1 (0.48) SMN1; SMN2ALDH1A1RAB9AKMT2ACYP2C9
SCHEMBL14388164 0.77 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL12523381 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1KMT2AKMOCYP2C9
SCHEMBL420682 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1ABCC9ABCC8KCNJ11

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
WO-2019154366-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏奥赛康药业有限公司 2019-08-15 WO disclosed
US-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2017-01-12 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 (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-20170008910-A1 THIAZOLOPYRROLIDINE INHIBITORS OF ROR-GAMMA RORC, RORB, RORA SMN1; SMN2 4138/4885ALDH1A1 194/4885ABCC9 1911/4885

“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.