SCHEMBL250481

SCHEMBL250481

N#Cc1cc[c]c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.40
IMPDH1 P20839 2/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
AR P10275 4/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL644339 0.86 CA1 (0.40) IMPDH2IMPDH1CA1CA2AR
SCHEMBL16289857 0.79 FABP7 (0.30)
SCHEMBL5747835 0.77 CA1 (0.41) IMPDH2IMPDH1CA1CA2AR
SCHEMBL16289452 0.76
SCHEMBL21858036 0.76 APP (0.46) CA1CA2ALDH1A1KDM4EMAPT
SCHEMBL21858021 0.75 CHAT (0.46) CA1CA2TSHRALDH1A1KDM4E
SCHEMBL7299420 0.73 CA1 (0.40) IMPDH2IMPDH1CA1CA2AR
SCHEMBL1716695 0.73 HTT (0.50) ALDH1A1MEN1KMT2ANCOA3SMN1; SMN2
SCHEMBL18421763 0.72 NCOA3 (0.42) NCOA3DYRK1AHTT
SCHEMBL18423090 0.72 LRRK2 (0.38) CA1CA2ALDH1A1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3749631-B1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL CO (JP) 2024-03-06 EP claimed
US-20230391704-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-07 US claimed
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-12-02 US claimed
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP claimed
US-20200108068-A1 PYRIMIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2020-04-09 US claimed
EP-3625223-A1 PYRIMIDINE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 EP claimed
CN-110621667-A Pyrimidine derivatives 爱杜西亚药品有限公司 2019-12-27 CN claimed
WO-2018210992-A1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 WO claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
EP-1703797-A4 TRICYCLIC MODULATORS OF THE GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kappaB ACTIVITY AND USE THEREOF BRISTOL MYERS SQUIBB CO (US) 2009-01-14 EP claimed
US-6111110-A Synthesis of benzo[f]quinolinones ELI LILLY AND COMPANY (US) 2000-08-29 US claimed
EP-0969003-A2 Process for the preparation of benzo[f]quinolinone derivatives and intermediates ELI LILLY AND COMPANY (US) 2000-01-05 EP claimed
WO-1999065878-A1 SYNTHESIS OF BENZO[F]QUINOLINONES ELI LILLY AND COMPANY (US) 1999-12-23 WO claimed
WO-1998018757-A1 SYNTHESIS OF BENZO[F]QUINOLINONES ELI LILLY AND COMPANY (US) 1998-05-07 WO claimed
EP-0839807-A1 Synthesis of benzo(f)quinolinones ELI LILLY AND COMPANY (US) 1998-05-06 EP claimed
EP-0476456-B1 Substituted 2-thiazolyl tetrazolium salt indicators BAYER AG (US) 1997-11-12 EP claimed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP claimed
EP-0476456-A2 Substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476457-A2 2-Benzothiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed
EP-0476455-A2 Phenyl-substituted 2-thiazolyl tetrazolium salt indicators Bayer Corporation (US) 1992-03-25 EP claimed

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-20230391704-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 IMPDH2 4424/4885IMPDH1 4490/4885CA1 3881/4885
US-20210371367-A1 TRIARYLMETHANE COMPOUNDS CBR3, HAX1, HRH3 IMPDH2 4424/4885IMPDH1 4490/4885CA1 3881/4885
US-20200108068-A1 PYRIMIDINE DERIVATIVES PTGER1, PTGER4, PTGER2 IMPDH2 1323/4885IMPDH1 1004/4885CA1 4739/4885

“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.