SCHEMBL7097731

SCHEMBL7097731

CC(C)(C)OCCCC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 2/20 0.33
MEN1 O00255 1/20 0.33
FAAH O00519 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CNR1 P21554 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL19220763 0.93 SOAT1 (0.36) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL19220764 0.91 SOAT1 (0.39) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL6340075 0.88 MAPK1 (0.32) SOAT1MEN1FAAHTP53CYP1A2
SCHEMBL16350179 0.81 ALDH1A1 (0.41) MAPK1CYP4F2CYP4A11
SCHEMBL2311055 0.81 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL26263694 0.79 FAAH (0.31) MEN1FAAHCYP1A2KMT2AMAPK1
SCHEMBL20929115 0.79
SCHEMBL16968099 0.77 TDP1 (0.38) KMT2ACYP4F2CYP4A11
SCHEMBL16656154 0.77 EPHX2 (0.38) MEN1KMT2A
SCHEMBL12516792 0.76 PDK2 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10774079-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2020-09-15 US disclosed
US-10421754-B2 Quinazoline derivative CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2019-09-24 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 US disclosed
US-20170226099-A1 QUINAZOLINE DERIVATIVE CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD. (CN) 2017-08-10 US disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
US-9718825-B2 N-(4-(azaindazol-6-yl)-phenyl)-sulfonamides and their use as pharmaceuticals SANOFI (FR) 2017-08-01 US disclosed
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2016-01-28 US disclosed
US-8193214-B2 Chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-05 US disclosed
US-20100029637-A1 Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-04 US disclosed
EP-0815084-B1 LACTAM-CONTAINING HYDROXAMIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MATRIX METALLOPROTEASE PROCTER & GAMBLE (US) 2003-08-27 EP 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 (5 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-20100029637-A1 Chymase Inhibitors CMA1, CPA3, SERPINB1 SOAT1 3493/4885MEN1 1367/4885FAAH 1066/4885
US-10774079-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885
US-20160024097-A1 N-(4-(AZAINDAZOL-6-YL)-PHENYL)-SULFONAMIDES AND THEIR USE AS PHARMACEUTICALS SGK1, SGK3, SGK2 SOAT1 2433/4885MEN1 4228/4885FAAH 4518/4885
US-10421754-B2 Quinazoline derivative H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885
US-20170226099-A1 QUINAZOLINE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TOP2A, TOP1 SOAT1 1952/4885MEN1 2146/4885FAAH 4627/4885

“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.