SCHEMBL25577923

SCHEMBL25577923

C=CCOC(=O)N(C)c1ncccc1CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SNCA P37840 1/20 0.34
▸ MAPK1 P28482 2/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ GABRP O00591 1/20 0.32
▸ GABRD O14764 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRB1 P18505 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32

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
SCHEMBL30392953 1.00 CYP3A4 (0.38) CYP3A4MEN1KMT2AALDH1A1TSHR
SCHEMBL29868015 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1MAPK1TRPV1
SCHEMBL23084702 0.82 MEN1 (0.38) MEN1KMT2AALDH1A1MAPK1TRPV1
SCHEMBL30393112 0.80 PKM (0.32) SMN1; SMN2
SCHEMBL25683931 0.80 PKM (0.32) SMN1; SMN2
SCHEMBL25693457 0.80 KDM4E (0.34) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL23671683 0.75 CASP1 (0.43) CYP3A4MEN1KMT2AALDH1A1HSD17B10
SCHEMBL30525557 0.75 CASP1 (0.43) CYP3A4MEN1KMT2AALDH1A1HSD17B10
SCHEMBL21121863 0.75 KDM4E (0.41) MEN1KMT2AALDH1A1MAPK1TRPV1
SCHEMBL21155600 0.75 KMT2A (0.36) MEN1KMT2AALDH1A1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787825-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2023-10-17 — — US disclosed
US-11787825-B2 Therapeutic compounds for HIV virus infection GILEAD SCIENCES, INC. (US) 2023-10-17 — — US disclosed
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 — — US disclosed
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 — — US disclosed
WO-2023102239-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 — — WO 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-11787825-B2 Therapeutic compounds for HIV virus infection HAVCR2, MAVS, CD4 CYP3A4 1064/4885MEN1 4418/4885KMT2A 3782/4885
US-20230203069-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 CYP3A4 1064/4885MEN1 4418/4885KMT2A 3782/4885

“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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