SCHEMBL3609212

SCHEMBL3609212

C=Cc1c(C)nn(-c2ccccc2)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
LMNA P02545 5/20 0.43
ALDH1A1 P00352 7/20 0.41
TP53 P04637 3/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 3/20 0.38
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL3605072 0.85 KDM4E (0.39) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL3603940 0.85 KDM4E (0.39) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL3608916 0.85 KDM4E (0.39) MAPTALDH1A1HTTSMN1; SMN2RAB9A
SCHEMBL3613393 0.84 ALDH1A1 (0.39) MAPTLMNAALDH1A1SMN1; SMN2RAB9A
SCHEMBL3613469 0.83 LMNA (0.46) MAPTLMNAALDH1A1TP53NPY1R
SCHEMBL3603089 0.79 RECQL (0.39) MAPTALDH1A1TP53RECQLSMN1; SMN2
SCHEMBL3610418 0.76 SMN1; SMN2 (0.37) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3609672 0.76 ALDH1A1 (0.37) MAPTLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL3597585 0.76 SMN1; SMN2 (0.48) MAPTLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3611050 0.76 SMN1; SMN2 (0.48) MAPTLMNAALDH1A1HTTSMN1; SMN2

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 MAPT 3754/4885LMNA 4306/4885ALDH1A1 365/4885

“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.