SCHEMBL19251523

SCHEMBL19251523

CCC(C)(C)c1cnc(Cl)nc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
MAOB P27338 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL22778781 0.82 CYP19A1 (0.32) CYP19A1
SCHEMBL19454507 0.80 TAAR1 (0.45)
SCHEMBL14930980 0.79 NPC1 (0.34) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL18867187 0.77 NPC1 (0.33) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL21893106 0.77 PTPN1 (0.34) TDP1NPC1RAB9AMAPTLMNA
SCHEMBL21791917 0.77 NPC1 (0.33) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL21166167 0.77 NPC1 (0.33) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL19251241 0.77 NPC1 (0.41) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL19251103 0.77 NPC1 (0.33) NPC1RAB9AMAPTLMNAMAPK1
SCHEMBL12925545 0.77 DGAT1 (0.40) TDP1NPC1RAB9AMAPTCYP19A1

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
US-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS MANKIND PHARMA LTD. (IN) 2017-10-12 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-20170291910-A1 NOVEL COMPOUNDS AS GPR119 AGONISTS GPR119, GPR84, GPR65 TDP1 4782/4885NPC1 907/4885RAB9A 835/4885

“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.