SCHEMBL21221784

SCHEMBL21221784

COC(=O)c1cccc(COc2ccc(Nc3cc(=O)[nH]c(=O)[nH]3)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 7/20 0.56
▸ UNG P13051 2/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ADAMTS4 O75173 1/20 0.45
▸ MMP13 P45452 1/20 0.45

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
SCHEMBL21221823 0.83 P2RX3 (0.52) UNG
SCHEMBL21221828 0.82 UNG (0.56) UNG
SCHEMBL21221785 0.82 UNG (0.60) UNG
SCHEMBL15251878 0.81 MAPT (0.62) RAB9ANPC1TP53
SCHEMBL21578904 0.77 MRGPRX4 (0.76) MRGPRX4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21221726 0.76 UNG (0.59) UNGTP53
SCHEMBL12885852 0.76 MRGPRX4 (0.74) MRGPRX4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL21221786 0.75 UNG (0.58) UNG
SCHEMBL21221698 0.75 MRGPRX4 (0.72) MRGPRX4SMN1; SMN2RAB9AKDM4ENPC1
SCHEMBL6960292 0.75 MRGPRX4 (0.72) MRGPRX4SMN1; SMN2RAB9AKDM4ENPC1

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 MRGPRX4 636/4885UNG 4250/4885SMN1; SMN2 3011/4885
US-20190240244-A1 COMPOUNDS FOR CANCER CHEMOTHERAPEUTIC SENSITIZATION ABCC1, MCL1, ABCC3 MRGPRX4 636/4885UNG 4250/4885SMN1; SMN2 3011/4885

“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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