Sugi Predict

Sugi Predict / Compounds / SCHEMBL127767

SCHEMBL127767

SCHEMBL127767

COc1c(/C=C\[N+](=O)[O-])ccc(Br)c1CO

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.51
▸ FBP1 P09467 5/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ MAPT P10636 6/20 0.39
▸ LMNA P02545 5/20 0.39
▸ NPSR1 Q6W5P4 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ NTSR1 P30989 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MAPK1 P28482 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ S1PR4 O95977 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
SCHEMBL130011 0.83 PRMT1 (0.59) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL193398 0.83 PRMT1 (0.59) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL151935 0.83 PRMT1 (0.59) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL14812451 0.72 PRMT1 (0.74) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL4501431 0.72 PRMT1 (0.74) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL4501433 0.72 PRMT1 (0.74) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL128943 0.71 ALDH1A1 (0.38) ALDH1A1MAPTLMNACYP1A2CYP3A4
SCHEMBL18524335 0.70 FBP1 (0.57) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL18524334 0.70 FBP1 (0.57) PRMT1FBP1ALDH1A1MAPTLMNA
SCHEMBL34463115 0.70 PRMT1 (0.66) PRMT1FBP1ALDH1A1MAPTLMNA

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-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PRMT1 67/4885FBP1 2526/4885ALDH1A1 3341/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PRMT1 476/4885FBP1 871/4885ALDH1A1 2930/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PRMT1 460/4885FBP1 1188/4885ALDH1A1 3376/4885

“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.