SCHEMBL19225702

SCHEMBL19225702

CCC(C)(C)c1ccc(F)c(Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
ATM Q13315 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 4/20 0.36
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 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
SCHEMBL21654145 0.85 CYP1A2 (0.38) NPSR1CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL13496391 0.82 NPC1 (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL3182455 0.81 CYP1A2 (0.35) NPSR1CYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL17283131 0.80 SHBG (0.35) MAPK1SMN1; SMN2MAPTNPSR1CYP2C9
SCHEMBL419718 0.79 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ALMNACASP3
SCHEMBL30104741 0.79 ALDH1A1 (0.41) SMN1; SMN2NPC1RAB9ALMNACASP3
SCHEMBL31550192 0.78 ALOX15 (0.36) NPC1RAB9ANPSR1CYP2C9CYP1A2
SCHEMBL17283102 0.78 HIF1A (0.40) CYP2C9CYP2C19TSHRHIF1AHSD17B10
SCHEMBL21561726 0.77 MAPK1 (0.46) MAPK1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4827420 0.77 MAPT (0.44) MAPK1SMN1; SMN2NPC1RAB9ALMNA

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-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-9724351-B2 Compounds for the treatment of paramoxyvirus viral infections ALIOS BIOPHARMA, INC. (US) 2017-08-08 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 (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-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP MAPK1 1797/4885SMN1; SMN2 3045/4885NPC1 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.