SCHEMBL19570342

SCHEMBL19570342

CCC(C)(C)NCc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 3/20 0.45
▸ TAAR1 Q96RJ0 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ PNMT P11086 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL7370500 0.85 NPC1 (0.49) NPC1RAB9ACHRM2ALDH1A1HPGD
SCHEMBL13900350 0.84 NPC1 (0.50) NPC1RAB9ACHRM2ALDH1A1HPGD
SCHEMBL12227630 0.81 CHRM2 (0.46) NPC1RAB9ACHRM2ALDH1A1HPGD
SCHEMBL21799601 0.79 PNMT (0.41) ALDH1A1HPGDHTTTAAR1MEN1
SCHEMBL19954187 0.78 P2RX7 (0.41) TP53CYP2D6CYP2C19
SCHEMBL17329411 0.75 ALDH1A1 (0.33) ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL19582424 0.74 CHRM2 (0.58) NPC1RAB9ACHRM2HTTTAAR1
SCHEMBL2471147 0.74 CHRM2 (0.62) NPC1RAB9ACHRM2ALDH1A1HTT
SCHEMBL6891746 0.74 RIPK1 (0.50) RAB9AALDH1A1HTTTAAR1LMNA
SCHEMBL296089 0.73 TAAR1 (0.63) NPC1RAB9ACHRM2ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2021-03-11 — — US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 — — US disclosed
US-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION UNIV DREXEL (US) 2017-11-09 — — 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-20170320818-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 NPC1 3197/4885RAB9A 3424/4885CHRM2 4806/4885
US-20210070703-A1 SULFAMOYLBENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION ALKBH5, SULT1A1, SHMT1 NPC1 3197/4885RAB9A 3424/4885CHRM2 4806/4885

“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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