Sugi Predict

Sugi Predict / Compounds / SCHEMBL6802371

SCHEMBL6802371

SCHEMBL6802371

CCC(NC(=S)Nc1ccc(Cl)cn1)N1CCCCC1C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GRM5 P41594 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6802367 0.75 GRM5 (0.44) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL6805138 0.74 RAB9A (0.50) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL6805540 0.74 ALDH1A1 (0.45) MAPTRAB9AALDH1A1NPC1TSHR
SCHEMBL6804427 0.73 RAB9A (0.44) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL12890687 0.64 LMNA (0.62) RAB9AALDH1A1L3MBTL1TSHRMAPK1
SCHEMBL11485957 0.63 L3MBTL1 (0.59) MAPTRAB9AALDH1A1L3MBTL1NPC1
SCHEMBL11201512 0.63 KDM4E (0.36) KDM4E
SCHEMBL30733352 0.62 ALDH1A1 (0.50) RAB9AALDH1A1NPC1KDM4ETSHR
SCHEMBL7579004 0.62 ALDH1A1 (0.49) MAPTRAB9AALDH1A1NPC1TSHR
SCHEMBL29806039 0.62 L3MBTL1 (0.51) L3MBTL1GRM5TSHRMAPK1LMNA

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 MAPT 1400/4885RAB9A 2832/4885ALDH1A1 1567/4885

“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.