SCHEMBL8935540

SCHEMBL8935540

Nc1nsnc1-c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
MAPK1 P28482 4/20 0.38
GAA P10253 3/20 0.38
CYP1A2 P05177 2/20 0.38
IKBKB O14920 1/20 0.38
CHUK O15111 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8935457 0.79 NPC1 (0.45) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL544849 0.78 CSNK1A1 (0.45) NPC1RAB9AMAPTSMN1; SMN2MAPK1
SCHEMBL30704358 0.75 ALOX15 (0.37) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL14710342 0.75 NPC1 (0.38) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL18748034 0.73 NPC1 (0.50) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL18748042 0.72 MAPT (0.39) MEN1KMT2ANPC1RAB9ANPSR1
SCHEMBL10987713 0.71 CHRM2 (0.39) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL8789881 0.67 MYC (0.50) MYCWDR5ADORA2AADORA1ALDH1A1
SCHEMBL1841571 0.67 GRM5 (0.45) DGAT1MEN1KMT2ANPC1RAB9A
SCHEMBL22347869 0.67 HPGD (0.42) DGAT1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547920-A Thiadizole derivatives and herbicide compositions containing the same TOSOH CORPORATION (JP) 1996-08-20 US claimed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 DGAT1 371/4885MEN1 1384/4885KMT2A 2450/4885

“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.