SCHEMBL161667

SCHEMBL161667

O=C(Cl)c1nc(-c2ccccc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.53
MAPT P10636 8/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 1/20 0.53
HIF1A Q16665 1/20 0.53
POLB P06746 1/20 0.52
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NPC1 O15118 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NR1H4 Q96RI1 1/20 0.51
HCRTR1 O43613 1/20 0.50
USP2 O75604 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL27789995 0.85 ALDH1A1 (0.55) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL167820 0.85 RAB9A (0.58) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL7238637 0.82 RAB9A (0.58) ALDH1A1MAPTLMNARAB9ASMN1; SMN2
SCHEMBL168593 0.82 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL13963798 0.82 MAPT (0.55) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL18186505 0.81 SCD (0.58) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL3010834 0.81 NR1H4 (0.60) ALDH1A1MAPTLMNAHTTHIF1A
Hydrochloric Acid SCHEMBL30882415 0.81 MAPT (0.56) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL3652895 0.80 ALDH1A1 (0.50) ALDH1A1MAPTLMNAHTTHIF1A
SCHEMBL3453251 0.79 MAPT (0.51) ALDH1A1MAPTLMNAHTTPOLB

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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 CN disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 ALDH1A1 369/4885MAPT 137/4885LMNA 2076/4885

“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.