SCHEMBL22029254

SCHEMBL22029254

COc1ccc(Nc2cc(-c3cccc(OC)c3)nc3cc(N)ccc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.58
▸ ABCG2 Q9UNQ0 1/20 0.58
▸ ACP1 P24666 16/20 0.58
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ TACR3 P29371 1/20 0.48

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
SCHEMBL9069455 0.83 ACP1 (0.68) ABCB1ABCG2ACP1
Hydrochloric Acid SCHEMBL9069972 0.82 ACP1 (0.67) ABCB1ABCG2ACP1LMNA
Hydrochloric Acid SCHEMBL9073289 0.78 ABCG2 (0.75) ABCB1ABCG2ACP1MEN1KMT2A
SCHEMBL12090368 0.77 ACP1 (0.79) ABCB1ABCG2ACP1MEN1KMT2A
SCHEMBL4817642 0.73 KDM4E (0.65) ABCB1ABCG2MEN1KMT2AKDM4E
SCHEMBL17688791 0.73 ACP1 (1.00) ABCB1ABCG2ACP1
SCHEMBL4914795 0.71 KDM4E (0.59) ABCB1ABCG2MEN1KMT2AKDM4E
SCHEMBL12090769 0.70 ACP1 (1.00) ABCB1ABCG2ACP1
SCHEMBL4824522 0.70 KDM4E (0.49) ABCB1ABCG2MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL9073104 0.70 GAK (0.58) ABCB1ABCG2LMNASMN1; SMN2NPC1

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-20200181089-A1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS Université Côte d'Azur (FR) 2020-06-11 — — US claimed

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-20200181089-A1 4-ANILINO-QUINOLINE COMPOUNDS AS ANTI-CANCER AGENTS CD274, PDCD1, PDCD1LG2 ABCB1 651/4885ABCG2 355/4885ACP1 2470/4885

“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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