SCHEMBL178010

SCHEMBL178010

COc1ccc(C(F)(F)F)cc1N=C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
ALPL P05186 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
KCNQ4 P56696 1/20 0.37
KCNMA1 Q12791 1/20 0.37
KCNQ5 Q9NR82 1/20 0.37

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
SCHEMBL30313140 1.00 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL5070735 0.87 CYP3A4 (0.63) CYP3A4ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL1339760 0.86 L3MBTL1 (0.58) CYP3A4ALDH1A1HPGDTDP1L3MBTL1
SCHEMBL57580 0.85 ALDH1A1 (0.51) CYP3A4ALDH1A1HPGDTDP1MEN1
SCHEMBL6118430 0.84 L3MBTL1 (0.44) CYP3A4L3MBTL1RAB9AMEN1ALOX15
SCHEMBL20052481 0.81 L3MBTL1 (0.44) CYP3A4L3MBTL1RAB9AMEN1ALOX15
SCHEMBL3880131 0.78 CYP3A4 (0.54) CYP3A4ALDH1A1HPGDTDP1MEN1
SCHEMBL13556581 0.78 CYP3A4 (0.58) CYP3A4ALDH1A1HPGDTDP1MEN1
SCHEMBL20052480 0.78 L3MBTL1 (0.44) CYP3A4ALDH1A1HPGDL3MBTL1RAB9A
SCHEMBL5891689 0.78 CYP3A4 (0.73) CYP3A4ALDH1A1HPGDTDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116874436-A Preparation method of letromycin intermediate 济宁学院 2023-10-13 CN claimed
CN-115386245-A Preparation method and application of lipophilic carbon nitride nanosheet 浙江理工大学 2022-11-25 CN claimed
CN-116874436-B Leitemivir Process for the preparation of intermediates 济宁学院 2025-08-08 CN disclosed
CN-119798172-A Preparation method of Leitemivir key intermediate dihydroquinazoline ester 仁合益康集团有限公司 2025-04-11 CN disclosed
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. 2024-12-12 US disclosed
US-RE49897-E1 Salts of a dihydroquinazoline derivative AIC246 AG & CO. KG (DE) 2024-04-02 US disclosed
EP-4328218-A2 PHARMACEUTICAL PREPARATION COMPRISING AN ANTIVIRAL DIHYDROQUINAZOLINE DERIVATIVE AIC246 AG & Co. KG (DE) 2024-02-28 EP disclosed
EP-3556350-B1 PHARMACEUTICAL PREPARATION COMPRISING AN ANTIVIRAL DIHYDROQUINAZOLINE DERIVATIVE WITH S CONFIGURATION IN POSITION 4 AIC246 AG & CO KG (DE) 2024-01-10 EP disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
US-RE49698-E1 Substituted dihydroquinazolines AIC246 AG & CO. KG (DE) 2023-10-17 US disclosed
CN-116874436-A Preparation method of letromycin intermediate 济宁学院 2023-10-13 CN disclosed
US-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC 2001-08-02 US disclosed
CN-1283180-A Inhibition of raf kinase using symmerical and unsymmerical substituted diphenyl ureas BAYER AG (US) 2001-02-07 CN disclosed
EP-1049664-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS Bayer Corporation (US) 2000-11-08 EP disclosed
EP-1042305-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-2000041698-A1 φ-CARBOXY ARYL SUBSTITUTED DIPHENYL UREAS AS p38 KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-2000042012-A1 φ-CARBOXYARYL SUBSTITUTED DIPHENYL UREAS AS RAF KINASE INHIBITORS BAYER CORPORATION (US) 2000-07-20 WO disclosed
WO-1999032436-A1 INHIBITION OF RAF KINASE USING SYMMETRICAL AND UNSYMMETRICAL SUBSTITUTED DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032463-A1 INHIBITION OF p38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER CORPORATION (US) 1999-07-01 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-20010011135-A1 Omega-carboxyaryl subsituted diphenyl ureas as raf kinase inhibitors BRAF, RAF1, ARAF CYP3A4 2209/4885ALDH1A1 1431/4885HPGD 2652/4885
US-20010011136-A1 omega-carboxyyaryl substituted diphenyl ureas as raf kinase inhibitors BRAF, ARAF, RAF1 CYP3A4 3500/4885ALDH1A1 1887/4885HPGD 2749/4885
US-20240408093-A1 HETEROBIFUNCTIONAL COMPOUNDS AND THEIR USE IN TREATING DISEASE FGFR3, FGFR1, ERBB3 CYP3A4 2811/4885ALDH1A1 4423/4885HPGD 4233/4885

“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.