SCHEMBL1834472

SCHEMBL1834472

CC(C)(C)NC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
HDAC3 O15379 1/20 0.51
HDAC4 P56524 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51

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
SCHEMBL24926609 0.83 SMN1; SMN2 (0.51) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL29868532 0.83 TLR7 (0.52) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL13218343 0.83 KDM4E (0.56) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL28790169 0.82 NSUN3 (0.49) ALDH1A1KDM4EHTTSMN1; SMN2LMNA
SCHEMBL8173813 0.82 KDM4E (0.59) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL29835997 0.82 MEN1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL21198407 0.82 ANO1 (0.56) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL18918939 0.82 MEN1 (0.50) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL20024124 0.82 POLB (0.59) ALDH1A1KDM4EHTTSMN1; SMN2CES2
SCHEMBL1570558 0.81 TLR7 (0.58) ALDH1A1KDM4EHTTSMN1; SMN2CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743406-B9 TMEM16A MODULATORS TMEM16A LTD (GB) 2023-03-08 EP claimed
EP-3743406-B1 TMEM16A MODULATORS TMEM16A LTD (GB) 2022-12-28 EP claimed
CN-103102343-A Preparation method of rupatadine fumarate ANHUI YOUCARE KAIYUE PHARMACEUTICAL CO LTD 2013-05-15 CN claimed
EP-0389189-B1 Diazepine antiallergy agents PFIZER LTD (GB) 1994-05-18 EP claimed
US-5008263-A Platelet activating factor antagonists; antiallergens; antiinflammatory agents PFIZER INC. (US) 1991-04-16 US claimed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP claimed
US-4715888-A SYNERGISTIC MIXTURES BAYER AKTIENGESELLSCHAFT (DE) 1987-12-29 US claimed
US-4496736-A ALKALINE HYDROLYSIS OF ALKYLACRBOXYLIC AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-01-29 US claimed
CN-114616226-B Pyridine derivatives as TMEM16A modulators for the treatment of respiratory disorders TMEM16A有限公司 2025-03-04 CN disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230278958-A1 TRICYCLIC HETEROCYCLES MERCK PATENT GMBH (DE) 2023-09-07 US disclosed
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION 2023-07-20 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
US-20230174538-A1 Tricyclic heterocycles MERCK PATENT GMBH (DE) 2023-06-08 US disclosed
EP-0389189-A2 Diazepine antiallergy agents Pfizer Limited (GB) 1990-09-26 EP disclosed
EP-0359499-A2 Fluoro substituted benzocycloheptapyridine compounds, compositions and methods of use as antihistaminic compounds SCHERING CORPORATION (US) 1990-03-21 EP disclosed
EP-0187284-A2 Process for the preparation of N-tert. alkyl amides of pyridine-carboxylic acids BAYER AG (DE) 1986-07-16 EP disclosed
US-4496736-A ALKALINE HYDROLYSIS OF ALKYLACRBOXYLIC AMIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-01-29 US disclosed
EP-0068219-B1 PROCESS FOR THE SIMULTANEOUS PREPARATION OF CARBOXYLIC ACIDS AND N-TERT,-ALKYL AMINES BAYER AG (DE) 1984-08-29 EP disclosed
EP-0068219-A1 Process for the simultaneous preparation of carboxylic acids and N-tert,-alkyl amines BAYER AG (DE) 1983-01-05 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 (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-20230278958-A1 TRICYCLIC HETEROCYCLES YAP1, TERF2IP, TEAD1 ALDH1A1 3813/4885KDM4E 2608/4885HTT 2473/4885
US-20230174538-A1 Tricyclic heterocycles YAP1, TEAD1, TERF2IP ALDH1A1 3857/4885KDM4E 2269/4885HTT 2092/4885
US-20230226062-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ALDH1A1 122/4885KDM4E 1970/4885HTT 3789/4885

“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.