SCHEMBL6318948

SCHEMBL6318948

CC(Sc1ncc[nH]1)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.42
FPR2 P25090 1/20 0.41
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP19A1 P11511 1/20 0.36
TXN P10599 1/20 0.36
TXNRD1 Q16881 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TYMP P19971 1/20 0.35
CTSZ Q9UBR2 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FDPS P14324 1/20 0.35
TRPA1 O75762 1/20 0.35

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
SCHEMBL6247620 0.83 CHRNA1 (0.43) FPR2NPC1RAB9ATXNTXNRD1
SCHEMBL4682201 0.71
SCHEMBL6203067 0.71 FFAR2 (0.41) FFAR2FPR2TAAR1NPC1RAB9A
SCHEMBL21617575 0.70 CES2 (0.46) NPC1RAB9AMAPTALDH1A1TRPA1
SCHEMBL8633201 0.68
SCHEMBL2554818 0.68
SCHEMBL10834286 0.66 NPC1 (0.70) NPC1RAB9ACYP19A1SMN1; SMN2KDM4E
SCHEMBL2625462 0.66 CES2 (0.54) MAPTKDM4EALDH1A1TRPA1
SCHEMBL10395765 0.65 L3MBTL1 (0.46) TAAR1CYP19A1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10395359 0.64 L3MBTL1 (0.49) TAAR1CYP19A1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US claimed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US claimed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT FFAR2 3217/4885FPR2 805/4885TAAR1 4006/4885

“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.