SCHEMBL3676494

SCHEMBL3676494

O=Cc1cc(F)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
CYP2A6 P11509 3/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
IMPDH2 P12268 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 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
SCHEMBL29953557 1.00 ERN1 (0.45) ERN1MEN1KMT2ALMNATDP1
SCHEMBL29956359 0.80 CYP2A6 (0.43) ERN1MEN1KMT2ALMNATDP1
SCHEMBL2996328 0.79 ERN1 (0.45) ERN1MEN1KMT2ALMNATDP1
SCHEMBL31141573 0.79 ERN1 (0.45) ERN1MEN1KMT2ALMNATDP1
SCHEMBL29388348 0.78 ERN1 (0.51) ERN1MEN1KMT2ALMNATDP1
SCHEMBL419485 0.78 ERN1 (0.51) ERN1MEN1KMT2ALMNATDP1
SCHEMBL9096655 0.78 ERN1 (0.44) ERN1MEN1KMT2ALMNATDP1
SCHEMBL2769437 0.78 ERN1 (0.47) ERN1MEN1KMT2ALMNATDP1
SCHEMBL3271938 0.78 CYP2A6 (0.61) ERN1MEN1KMT2ALMNATDP1
SCHEMBL3268303 0.78 NQO2 (0.55) ERN1MEN1KMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446298-B2 Pyrimidine derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-20 US disclosed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
EP-3718545-A1 ANTITUMOR AGENT Taiho Pharmaceutical Co., Ltd. (JP) 2020-10-07 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US disclosed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP disclosed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN disclosed
EP-3466934-A1 SULFONAMIDE COMPOUND OR SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2019-04-10 EP disclosed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO disclosed
WO-2017209155-A1 SULFONAMIDE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-12-07 WO disclosed
EP-2203161-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Indiana University Research and Technology Corporation (US) 2010-07-07 EP disclosed
WO-2009042544-A1 QUINONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2009-04-02 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 (6 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-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ERN1 225/4885MEN1 4320/4885KMT2A 869/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ERN1 225/4885MEN1 4320/4885KMT2A 869/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 ERN1 225/4885MEN1 4320/4885KMT2A 869/4885
US-11446298-B2 Pyrimidine derivatives PTGER1, PTGER4, PTGER2 ERN1 647/4885MEN1 4381/4885KMT2A 2332/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 ERN1 647/4885MEN1 4381/4885KMT2A 2332/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B ERN1 400/4885MEN1 3770/4885KMT2A 1647/4885

“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.