SCHEMBL25639161

SCHEMBL25639161

CCC(=O)Nc1nn(C)c2c(C(C)C)ccc(Cl)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ PKM P14618 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCR6 P51684 1/20 0.33

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
SCHEMBL19788777 0.86 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL25644750 0.84 KDM4E (0.39) ALDH1A1MEN1KMT2AKDM4EHTT
SCHEMBL20079062 0.84 MEN1 (0.50) ALDH1A1MEN1KMT2AKDM4ENPC1
SCHEMBL20078890 0.84 MAPT (0.33) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL16158005 0.84 KDM4E (0.45) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17697579 0.84 CYP3A4 (0.41) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20430360 0.82 CYP3A4 (0.40) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL24997637 0.82 KMT2A (0.42) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL19788770 0.81 CYP3A4 (0.39) CYP3A4ALDH1A1MEN1KMT2AKDM4E
SCHEMBL22885997 0.79 — —

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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CYP3A4 2945/4885ALDH1A1 3650/4885MEN1 4829/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 CYP3A4 2945/4885ALDH1A1 3650/4885MEN1 4829/4885

“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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