SCHEMBL20685661

SCHEMBL20685661

COc1ccc(N2CN=C(SCc3ccc(Cl)cc3)NC2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GFER P55789 2/20 0.47
▸ MCHR1 Q99705 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP2E1 P05181 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37

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
SCHEMBL14286351 0.83 ALDH1A1 (0.48) KMT2AMAPTSMN1; SMN2GFERMCHR1
Hydrochloric Acid SCHEMBL29837525 0.82 SMN1; SMN2 (0.49) KMT2AMAPTSMN1; SMN2GFERTP53
SCHEMBL14286349 0.75 MAPK1 (0.44) KMT2AMAPTSMN1; SMN2GFERCYP1A2
SCHEMBL5132698 0.74 HPGD (0.46) KMT2AMAPTSMN1; SMN2GFERUSP2
SCHEMBL14286347 0.73 GAA (0.47) KMT2AMAPTSMN1; SMN2GFERMCHR1
SCHEMBL22263185 0.69 RAB9A (0.41) KMT2AMAPTSMN1; SMN2GFERUSP2
SCHEMBL19019884 0.69 MAPT (0.43) MAPTCYP1A2CYP2D6TP53GAA
SCHEMBL5127715 0.68 ALDH1A1 (0.43) KMT2AMAPTSMN1; SMN2USP2CYP1A2
SCHEMBL943373 0.68 MCHR1 (0.55) KMT2AMAPTMCHR1CYP1A2CYP2D6
SCHEMBL19019834 0.66 PLA2G7 (0.47) KMT2AMAPTSMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION UNIV RUTGERS (US) 2019-01-31 — — US 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-20190031624-A1 THERAPEUTIC COMPOUNDS AND METHODS TO TREAT INFECTION ABCB11, SLC10A1, SLC47A1 KMT2A 4605/4885MAPT 4110/4885SMN1; SMN2 4260/4885

“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.

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