SCHEMBL2360976

SCHEMBL2360976

Nc1cc(F)c(I)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA9 Q16790 1/20 0.32
CYP3A4 P08684 2/20 0.32
TP53 P04637 1/20 0.32
CGAS Q8N884 1/20 0.31
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL27783825 0.82 CYP3A4 (0.46) ALDH1A1TSHRCA1CA2CA9
SCHEMBL23174468 0.82 GAA (0.46) CA1CA2CA3CA9GAA
SCHEMBL29514060 0.77 GAA (0.39) ALDH1A1TSHRCYP3A4GAAMAPT
SCHEMBL25346434 0.77 GAA (0.39) ALDH1A1TSHRCYP3A4GAAMAPT
SCHEMBL18373638 0.75 CA1 (0.33) CA1CA2CA3CA9
SCHEMBL18101290 0.73 TTR (0.33)
SCHEMBL5080236 0.73 HDAC1 (0.42) ALDH1A1TSHRCA1CA2CA3
SCHEMBL8395028 0.73 CYP3A4 (0.42) ALDH1A1TSHRCYP3A4TP53GAA
SCHEMBL111459 0.73 CES2 (0.41) ALDH1A1TSHRCA1CA2CYP3A4
SCHEMBL2929573 0.73 CES2 (0.36) ALDH1A1CA1CA9MAPT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
WO-2025133915-A1 COMPOUNDS WHICH BIND TO PNPLA3I148M AND THEIR USE TO TREAT LIVER DISEASES NOVARTIS AG (CH) 2025-06-26 WO disclosed
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN disclosed
CN-116507695-B Aromatic isothiocyanates 默克专利股份有限公司 2025-02-25 CN disclosed
CN-117660019-A Liquid crystal compound with high birefringence, synthesis method, liquid crystal composition and application 西安近代化学研究所 2024-03-08 CN disclosed
CN-117534600-A Isothiocyano trans-cyclohexyl biphenyl liquid crystal compound, and preparation method and application thereof 武汉轻工大学 2024-02-09 CN disclosed
CN-117510315-A dl- (±) -beta-methyl amyl terphenyl liquid crystal compound, preparation method and application thereof 武汉轻工大学 2024-02-06 CN disclosed
CN-117466897-A Highly selective FGFR2 inhibitors 深圳福沃药业有限公司 2024-01-30 CN disclosed
CN-117203307-A Liquid-crystalline medium 默克专利股份有限公司 2023-12-08 CN disclosed
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST HOFFMANN-LA ROCHE INC. 2015-07-30 US disclosed
CN-101580716-B Terminal isothiocyano liquid-crystal compound containing pyrimidine ring and preparation method thereof SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD 2013-04-17 CN disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
US-7767857-B1 Preparation of 2,4,6,-trichloroaniline from aniline using N-chloro reagents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2010-08-03 US disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 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 (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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TSHR 846/4885CA1 3387/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 ALDH1A1 2956/4885TSHR 2392/4885CA1 4119/4885

“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.