Sugi Predict

Sugi Predict / Compounds / SCHEMBL129725

SCHEMBL129725

SCHEMBL129725

Cc1ccc(C=O)c(Br)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NCEH1 Q6PIU2 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNJ1 P48048 2/20 0.34
▸ TRIM24 O15164 2/20 0.33
▸ TRIM33 Q9UPN9 2/20 0.33
▸ ERN1 O75460 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL3321491 0.84 ALDH1A1 (0.44) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL31303741 0.82 ALDH1A1 (0.43) ALDH1A1TSHRNCEH1TDP1MEN1
SCHEMBL1708271 0.82 ALDH1A1 (0.43) ALDH1A1TSHRNCEH1TDP1MEN1
SCHEMBL2963214 0.78 TSHR (0.36) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL16415856 0.78 ERN1 (0.39) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL127868 0.78 ERN1 (0.43) ALDH1A1TSHRTRIM24TRIM33ERN1
SCHEMBL366594 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL30287124 0.77 TDP1 (0.47) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL14876861 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTDP1MEN1LMNA
SCHEMBL30065195 0.76 ALDH1A1 (0.41) ALDH1A1TSHRTDP1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE BETTA PHARMACEUTICALS CO., LTD (CN) 2023-06-29 — — US disclosed
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
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 — — 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 (4 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 ALDH1A1 3341/4885TSHR 633/4885NCEH1 3014/4885
US-20230203055-A1 FUSED RING COMPOUND AND APPLICATION THEREOF IN MEDICINE VIP, CYP11B2, CYP11B1 ALDH1A1 1378/4885TSHR 4024/4885NCEH1 737/4885
US-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 2930/4885TSHR 2435/4885NCEH1 990/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L ALDH1A1 3376/4885TSHR 2232/4885NCEH1 1101/4885

“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.