Sugi Predict

Sugi Predict / Compounds / SCHEMBL4936196

SCHEMBL4936196

SCHEMBL4936196

O=C1C[C@@H](C(=O)Nc2cccc3nsnc23)N(C(=O)Nc2cc(Cl)cc(Cl)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ KDM4E B2RXH2 7/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 7/20 0.46
▸ TP53 P04637 4/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ SMN1; SMN2 Q16637 6/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ HPGD P15428 4/20 0.40
▸ POLB P06746 4/20 0.40
▸ HTT P42858 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 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
SCHEMBL5737300 0.72 POLB (0.46) MAPTMEN1KMT2ANPSR1ALDH1A1
SCHEMBL4938824 0.65 HSD17B10 (0.47) KDM4EMEN1KMT2ANPC1RAB9A
SCHEMBL4940313 0.64 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4939037 0.64 OXTR (0.57) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4944223 0.64 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL4944225 0.64 ALDH1A1 (0.45) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL7089080 0.64 OXTR (0.57) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL6597524 0.64 TAS1R3 (0.47) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4944678 0.63 NPC1 (0.46) MAPTKDM4EMEN1KMT2ANPC1
SCHEMBL15881215 0.62 ALDH1A1 (0.64) MAPTKDM4EMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 — — US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 — — US disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 — — US disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 — — US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 — — 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR MAPT 4844/4885KDM4E 2553/4885MEN1 4853/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MAPT 4816/4885KDM4E 2451/4885MEN1 4860/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MAPT 2519/4885KDM4E 1468/4885MEN1 4751/4885

“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.