SCHEMBL19420170

SCHEMBL19420170

O=C1O[C@@H](C(Cl)(Cl)Cl)Nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 6/20 0.37
ALDH1A1 P00352 6/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
TNKS O95271 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
PDGFRA P16234 1/20 0.34
FER P16591 1/20 0.34
LTK P29376 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL11475194 0.77 PARP1 (0.38) PARP1ALDH1A1HPGDKDM4EGAA
SCHEMBL11338697 0.75 PARP1 (0.59) PARP1ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8349383 0.71 TNKS2 (0.40) TNKS2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL18324078 0.69 TNKS2 (0.52) TNKS2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL23680663 0.68 KMT2A (0.49) PARP1TNKS2ALDH1A1HSD17B10KDM4E
SCHEMBL11329183 0.68 TNKS2 (0.50) TNKS2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11326625 0.67 HSPA1A (0.40) ALDH1A1TSHRGAAMAPTCYP1A2
SCHEMBL11344880 0.66 EGFR (0.37) HSD17B10
SCHEMBL11330150 0.66 GAA (0.43) TSHRGAAKMT2ASMN1; SMN2MEN1
SCHEMBL11266352 0.65 ALDH1A1 (0.48) ALDH1A1HSD17B10KDM4EGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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 (2 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 PARP1 207/4885TNKS2 612/4885ALDH1A1 545/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA PARP1 222/4885TNKS2 452/4885ALDH1A1 194/4885

“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.