SCHEMBL21221777

SCHEMBL21221777

O=c1cc(Nc2ccc3c(c2)OCO3)[nH]c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.56
▸ MAPT P10636 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ TAAR1 Q96RJ0 1/20 0.53

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
SCHEMBL21221711 0.77 TP53 (0.54) TP53MAPT
SCHEMBL378949 0.75 SMN1; SMN2 (0.62) MAPTRAB9ASMN1; SMN2
SCHEMBL1920755 0.73 NPC1 (0.60) MAPTRAB9ASMN1; SMN2
SCHEMBL5309531 0.73 TP53 (0.63) TP53MAPT
SCHEMBL17057465 0.72 TP53 (1.00) TP53MAPT
SCHEMBL3971654 0.72 TP53 (0.57) TP53MAPT
SCHEMBL21221811 0.71 TP53 (0.61) TP53MAPT
SCHEMBL5298937 0.71 TP53 (0.71) TP53MAPTSMN1; SMN2
SCHEMBL4082607 0.71 MAPT (0.68) TP53MAPT
SCHEMBL6783250 0.71 TP53 (0.73) TP53MAPT

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-10617706-B2 Compounds for cancer chemotherapeutic sensitization REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-04-14 — — US disclosed
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION REGENTS OF THE UNIVERSITY OF MINNESOTA 2019-08-08 — — 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-10617706-B2 Compounds for cancer chemotherapeutic sensitization ABCC1, MCL1, ABCC3 TP53 8/4885MAPT 4452/4885RAB9A 1907/4885
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION ABCC1, MCL1, ABCC3 TP53 8/4885MAPT 4452/4885RAB9A 1907/4885

“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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