SCHEMBL29326261

SCHEMBL29326261

O=c1[nH]c2cc(-c3cncc4ccccc34)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.47
CYP11B2 P19099 13/20 0.47
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2B6 P20813 2/20 0.43
CYP2C19 P33261 2/20 0.43
ERN1 O75460 1/20 0.43
NPEPPS P55786 1/20 0.43
PRKCZ Q05513 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL27377727 0.93 CYP11B1 (0.48) CYP11B1CYP11B2PRMT5WDR77CYP2D6
SCHEMBL27377600 0.91 NPEPPS (0.43) CYP11B1CYP11B2PRMT5WDR77CYP2D6
SCHEMBL29326224 0.89 NPEPPS (0.48) CYP2C9CYP2C19NPEPPSTDP1CYP1A2
SCHEMBL29328549 0.83 FEN1 (0.53) CYP11B1CYP11B2NPEPPSKDM4EHTT
SCHEMBL27377718 0.83 NPEPPS (0.41) CYP11B1CYP11B2PRMT5WDR77CYP2C9
SCHEMBL27191731 0.83 TNKS2 (0.46) CYP11B1CYP11B2CYP2C9CYP2C19NPEPPS
SCHEMBL29326223 0.83 FEN1 (0.58) CYP2C9CYP2C19NPEPPSTDP1CYP1A2
SCHEMBL29326265 0.83 PTGES (0.46) CYP11B1CYP11B2CYP2C9CYP2C19NPEPPS
SCHEMBL27377884 0.83 KDM4E (0.43) CYP11B1CYP11B2CYP2C9CYP2C19NPEPPS
SCHEMBL29326236 0.82 NPEPPS (0.44) CYP2C9NPEPPSTDP1KDM4EHTT

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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 (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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP11B1 3367/4885CYP11B2 1461/4885PRMT5 1138/4885

“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.