SCHEMBL6802367

SCHEMBL6802367

CCC(N(S)C(=O)Nc1ccc(Cl)cn1)N1CCCCC1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
USP30 Q70CQ3 1/20 0.43
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 1/20 0.39
PTK2 Q05397 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPC1 O15118 2/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL6802371 0.75 MAPT (0.45) GRM5USP30TSHRL3MBTL1MAPK1
SCHEMBL6805538 0.75 RAB9A (0.43) GRM5TSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL6804420 0.73 USP30 (0.47) GRM5USP30TSHRL3MBTL1MAPK1
SCHEMBL6805135 0.68 F10 (0.47) GRM5USP30L3MBTL1ALDH1A1PTK2
SCHEMBL998805 0.67 L3MBTL1 (0.54) GRM5USP30TSHRL3MBTL1ALDH1A1
SCHEMBL12890687 0.66 LMNA (0.62) TSHRL3MBTL1MAPK1ALDH1A1PTK2
SCHEMBL29619717 0.65 LMNA (0.61) GRM5TSHRL3MBTL1MAPK1ALDH1A1
SCHEMBL28269443 0.63 PTK2 (0.56) TSHRL3MBTL1MAPK1ALDH1A1PTK2
SCHEMBL19534706 0.63 L3MBTL1 (0.57) TSHRL3MBTL1MAPK1ALDH1A1PTK2
SCHEMBL20964513 0.62 ALDH1A1 (0.64) TSHRL3MBTL1MAPK1ALDH1A1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689793-B2 INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE AND MULTI-DRUG RESISTANT HUMAN IMMUNODEFICIENCY VIRUS REVERSE TRANSCRIPTASE PARKER HUGHES INSTITUTE 2004-02-10 US claimed
US-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity PARKER HUGHES INSTITUTE 2002-10-17 US claimed
US-6689793-B2 INHIBITORS OF NON-NUCLEOSIDE REVERSE TRANSCRIPTASE AND MULTI-DRUG RESISTANT HUMAN IMMUNODEFICIENCY VIRUS REVERSE TRANSCRIPTASE PARKER HUGHES INSTITUTE 2004-02-10 US disclosed
US-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity PARKER HUGHES INSTITUTE 2002-10-17 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-20020151568-A1 Piperidinylethyl-, phenoxyethyl-, and beta-fluorophenethyl-substituted thiourea compounds with potent anti-HIV activity SAMHD1, PNP, NUDT1 GRM5 3104/4885USP30 1551/4885TSHR 1490/4885

“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.