SCHEMBL6804427

SCHEMBL6804427

CC1CCCN(C(C)NC(=S)Nc2ccc(Cl)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 2/20 0.44
GRM5 P41594 1/20 0.42
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
USP30 Q70CQ3 1/20 0.40
LMNA P02545 3/20 0.40
F10 P00742 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL6804222 0.87 ALDH1A1 (0.42) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL6805138 0.85 RAB9A (0.50) RAB9ANPC1L3MBTL1THRBHPGD
SCHEMBL29806039 0.81 L3MBTL1 (0.51) L3MBTL1GRM5USP30LMNAF10
SCHEMBL6804420 0.76 USP30 (0.47) L3MBTL1GRM5USP30LMNAF10
SCHEMBL6802371 0.73 MAPT (0.45) RAB9ANPC1L3MBTL1THRBHPGD
SCHEMBL7579004 0.72 ALDH1A1 (0.49) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL6229771 0.71 ALDH1A1 (0.48) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL29806150 0.69 L3MBTL1 (0.50) L3MBTL1USP30LMNAF10TSHR
SCHEMBL29805990 0.69 L3MBTL1 (0.50) L3MBTL1USP30LMNAF10TSHR
SCHEMBL29806203 0.67 MAPK1 (0.47) L3MBTL1USP30LMNAF10TSHR

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 RAB9A 2832/4885NPC1 444/4885L3MBTL1 801/4885

“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.