SCHEMBL3601093

SCHEMBL3601093

Cc1nn(C)c(Sc2cc(OCC(=O)O)c(Cl)cc2Cl)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 4/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.35
HPGD P15428 2/20 0.35
PTGDR2 Q9Y5Y4 5/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3601746 0.83 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL3615618 0.83 ALDH1A1 (0.37) L3MBTL1MEN1KMT2AKDM4EMAPT
SCHEMBL3607839 0.83 TDP1 (0.36) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL3611899 0.82 TDP1 (0.35) L3MBTL1MEN1KMT2AALDH1A1TDP1
SCHEMBL3596945 0.78 TDP1 (0.41) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3610769 0.77 SMN1; SMN2 (0.35) L3MBTL1MAPTALDH1A1TDP1TSHR
SCHEMBL3602949 0.69 PTGDR2 (0.35) L3MBTL1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3605174 0.68 ALDH1A1 (0.40) KMT2AKDM4EMAPTALDH1A1TDP1
SCHEMBL3607426 0.67 ALDH1A1 (0.41) KDM4EALDH1A1RAB9ATSHRCYP2C19
SCHEMBL3599634 0.67 ALDH1A1 (0.39) MEN1KMT2AKDM4EMAPTALDH1A1

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R L3MBTL1 3563/4885MEN1 2280/4885KMT2A 2269/4885

“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.