Sugi Predict

Sugi Predict / Compounds / SCHEMBL1487730

SCHEMBL1487730

SCHEMBL1487730

Cc1cc(C)cc(N(C=O)c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HTT P42858 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ ACHE P22303 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ TPMT P51580 1/20 0.31

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
SCHEMBL9216448 0.86 RAB9A (0.42) NPSR1HTTMEN1KMT2AACHE
SCHEMBL172583 0.83 CA12 (0.44) HTTMEN1KMT2ACA12CA9
SCHEMBL43388 0.82 ALDH1A1 (0.42) NPSR1HTTMEN1KMT2ATRPM8
SCHEMBL5516786 0.82 ALDH1A1 (0.42) NPSR1HTTMEN1KMT2ATRPM8
SCHEMBL10012179 0.79 ACHE (0.46) HTTMEN1KMT2AACHELMNA
SCHEMBL9699565 0.75 CYP3A4 (0.58) HTTMEN1KMT2ATSHRALOX12
SCHEMBL2007458 0.73 ALDH1A1 (0.48) NPSR1HTTMEN1KMT2AACHE
SCHEMBL9700902 0.73 POLB (0.36) HTTMEN1KMT2ALMNATSHR
SCHEMBL3725404 0.72 ALDH1A1 (0.42) NPSR1HTTMEN1KMT2ATSHR
SCHEMBL22879338 0.72 ALDH1A1 (0.39) NPSR1HTTMEN1KMT2ATRPM8

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-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2013-03-28 — — US disclosed
US-8334295-B2 Pyrimidine derivatives as HIV reverse transcriptase inhibitors KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-12-18 — — US disclosed
US-20110076276-A1 Novel HIV reverse transcriptase inhibitors GILEAD SCIENCES, INC. (US) 2011-03-31 — — US disclosed
WO-1994013646-A1 N,N-DIACYLPIPERAZINE TACHYKININ ANTAGONISTS MERCK & CO., INC. (US) 1994-06-23 — — WO 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-20110076276-A1 Novel HIV reverse transcriptase inhibitors POLR2E, POLR1E, POLR2H TSPO 4046/4885NPSR1 4081/4885HTT 3836/4885
US-20130078256-A1 NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS POLR2E, POLR1E, POLR2H TSPO 4046/4885NPSR1 4081/4885HTT 3836/4885

“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.