SCHEMBL17463071

SCHEMBL17463071

CCn1ccc2nc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.41
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CYP19A1 P11511 3/20 0.34
KMT2A Q03164 3/20 0.33
FAAH O00519 2/20 0.33
CYP1A2 P05177 2/20 0.33
HTT P42858 2/20 0.33
CYP2D6 P10635 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL14137046 0.86 EGFR (0.36) PTGER4NPC1RAB9AKMT2AHTT
SCHEMBL27927986 0.83 GRIN2B (0.40) PTGER4KMT2AHTTSMN1; SMN2MAPT
SCHEMBL20660559 0.81 AR (0.32) KMT2A
SCHEMBL17463068 0.79 CYP1A2 (0.36) NPC1RAB9ACYP19A1KMT2AFAAH
SCHEMBL16818938 0.77 KMT2A (0.50) NPC1KMT2AHTTSMN1; SMN2
SCHEMBL3404611 0.76 KDM4E (0.36) PTGER4NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL30592233 0.75 SMN1; SMN2 (0.39) PTGER4CYP19A1KMT2ASMN1; SMN2KDM4E
SCHEMBL20660906 0.75 SMN1; SMN2 (0.39) PTGER4CYP19A1KMT2ASMN1; SMN2KDM4E
SCHEMBL27395426 0.74 DGAT1 (0.36) NPC1MAPT
SCHEMBL24823523 0.71 RPS6KA5 (0.37) PTGER4SMN1; SMN2RPS6KA5RPS6KA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2017-08-03 US disclosed
US-20160024086-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2016-01-28 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-20160024086-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG PTGER4 1362/4885NPC1 1260/4885RAB9A 1144/4885
US-20170217956-A1 AZAINDOLE RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG PTGER4 1371/4885NPC1 1224/4885RAB9A 1132/4885

“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.