SCHEMBL5747733

SCHEMBL5747733

C#Cc1cc(F)ccc1C=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
PTPN1 P18031 1/20 0.38
ERN1 O75460 3/20 0.34
NFE2L2 Q16236 3/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15428101 0.84 ALDH1A1 (0.39) ALDH1A1KDM4EPTPN1ERN1NFE2L2
SCHEMBL1605954 0.80 HTR2A (0.41) ALDH1A1KDM4EPTPN1ERN1NFE2L2
SCHEMBL22686914 0.78 TDP1 (0.33) TDP1MEN1KMT2ALMNATHRB
SCHEMBL22687457 0.76 TDP1 (0.55) ALDH1A1PTPN1ERN1TDP1MEN1
SCHEMBL22687419 0.76 MRGPRX4 (0.37) ALDH1A1KDM4EPTPN1LMNASMN1; SMN2
SCHEMBL4363014 0.73 ERN1 (0.46) ALDH1A1KDM4EPTPN1ERN1NFE2L2
SCHEMBL29957006 0.73 ERN1 (0.46) ALDH1A1KDM4EPTPN1ERN1NFE2L2
SCHEMBL15428225 0.73 CA12 (0.40) ALDH1A1KDM4EPTPN1NFE2L2TDP1
SCHEMBL30134885 0.73 CA12 (0.40) ALDH1A1KDM4EPTPN1NFE2L2TDP1
SCHEMBL20482139 0.73 KDM4E (0.37) ALDH1A1KDM4EPTPN1ERN1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289842-A1 PHENYLDIHYDROPYRIMIDINE COMPOUND AND USE THEREOF Hepagene Therapeutics (HK) Limited (HK) 2023-12-13 EP disclosed
WO-2022166923-A1 PHENYLDIHYDROPYRIMIDINE COMPOUND AND USE THEREOF 和博医药有限公司 2022-08-11 WO disclosed
US-10913770-B2 Mertansine polypeptide conjugates VISION GLOBAL HOLDINGS LIMITED (CN) 2021-02-09 US disclosed
US-20200361988-A1 MERTANSINE POLYPEPTIDE CONJUGATES VISION GLOBAL HOLDINGS LIMITED (HK) 2020-11-19 US disclosed
EP-2872590-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-11-14 EP disclosed
US-20060287529-A1 Solid phase synthesis of antitumoral compounds PHARMA MAR, S.A.U. (ES) 2006-12-21 US disclosed
EP-1613635-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2006-01-11 EP disclosed
WO-2004073598-A2 SOLID PHASE SYNTHESIS OF ANTITUMORAL COMPOUNDS PHARMA MAR, S.A.U. (ES) 2004-09-02 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 (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-20200361988-A1 MERTANSINE POLYPEPTIDE CONJUGATES NGLY1, ANPEP, VIP ALDH1A1 3769/4885KDM4E 3679/4885PTPN1 2608/4885
US-10913770-B2 Mertansine polypeptide conjugates NGLY1, ANPEP, VIP ALDH1A1 3769/4885KDM4E 3679/4885PTPN1 2608/4885
US-20060287529-A1 Solid phase synthesis of antitumoral compounds TSNAX, TSN, PLIN5 ALDH1A1 4682/4885KDM4E 2697/4885PTPN1 4803/4885

“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.