SCHEMBL22922896

SCHEMBL22922896

Cc1cc(C)c(Cl)c(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 2/20 0.44
CD44 P16070 1/20 0.44
RAPGEF4 Q8WZA2 7/20 0.43
TSHR P16473 2/20 0.41
CYP3A4 P08684 5/20 0.41
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
CHRM1 P11229 1/20 0.40
MAOA P21397 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
NUDT1 P36639 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
SCHEMBL3303530 0.86 ALDH1A1 (0.47) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL1314635 0.83 CYP3A4 (0.55) ALDH1A1MAPTKDM4ERAPGEF4TSHR
SCHEMBL234943 0.80 CYP3A4 (0.58) RAPGEF4TSHRCYP3A4ALOX15CHRM1
SCHEMBL5528095 0.79 CASP1 (0.44) ALDH1A1GAAMAPTKDM4ETDP1
SCHEMBL2670000 0.79 CYP3A4 (0.52) ALDH1A1GAAMAPTTDP1CD44
SCHEMBL2669824 0.79 CD44 (0.44) ALDH1A1GAAMAPTKDM4ELMNA
SCHEMBL2972493 0.77 CYP3A4 (0.55) RAPGEF4TSHRCYP3A4ALOX15CHRM1
SCHEMBL27561995 0.77 CYP3A4 (0.55) RAPGEF4TSHRCYP3A4ALOX15CHRM1
SCHEMBL23205852 0.75 CD44 (0.41) ALDH1A1GAAMAPTKDM4ETDP1
SCHEMBL3789961 0.75 CYP3A4 (0.68) ALDH1A1GAAMAPTKDM4ELMNA

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
US-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors SIGNALRX PHARMACEUTICALS, INC. (US) 2023-09-19 US disclosed
US-20230119573-A1 GAS SEPARATION MEMBRANE, GAS SEPARATION MODULE, GAS SEPARATION APPARATUS, AND POLYIMIDE COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
WO-2021014365-A1 MACROCYCLIC COMPOUNDS AS STING AGONISTS AND METHODS AND USES THEREOF LUPIN LIMITED (IN) 2021-01-28 WO disclosed
CN-101370777-A Process for preparing imino compounds BASELL POLYOLEFINE GMBH (DE) 2009-02-18 CN 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-11760762-B2 Thienopyranones and furanopyranones as kinase, bromodomain, and checkpoint inhibitors CDK1, CDKN1A, CDKL1 ALDH1A1 3077/4885GAA 4060/4885MAPT 1778/4885

“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.