SCHEMBL24252063

SCHEMBL24252063

CNC(=O)c1ccc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 1/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC2 Q92769 2/20 0.44
PYGL P06737 1/20 0.44
RAF1 P04049 2/20 0.43
HDAC3 O15379 1/20 0.43
ARAF P10398 1/20 0.43
BRAF P15056 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43

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
SCHEMBL12171692 0.85 BRAF (0.56) MAPTRAB9ALMNAHDAC8HDAC6
SCHEMBL21968466 0.84 HDAC8 (0.52) KMT2ARAB9AHDAC8HDAC6HDAC2
SCHEMBL12305543 0.82 HPGD (0.50) KDM4EMAPTRAB9ALMNAEPHX2
SCHEMBL20064048 0.81 HDAC6 (0.46) KDM4EMAPTHDAC8HDAC6HDAC2
SCHEMBL12305560 0.80 TSHR (0.59) KMT2AMAPTEPHX2NR1H4TSHR
SCHEMBL13334884 0.80 ESRRA (0.51) KMT2AMAPTRAB9ATSHRSMN1; SMN2
SCHEMBL15505390 0.80 TSHR (0.39) RAB9ALMNAHDAC8HDAC6HDAC2
SCHEMBL4161973 0.80 MEN1 (0.61) KMT2AKDM4EMAPTRAB9AHDAC8
SCHEMBL12252223 0.79 TAS1R3 (0.46) HDAC8HDAC6HDAC2HDAC1EPHX2
SCHEMBL11346550 0.79 PARP1 (0.44) KMT2AKDM4ETSHRSMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2022-02-17 US 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 (1 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-20220048915-A1 Nitrogen-containing Heterocyclic Compound and Composition Thereof, Preparation Method Therefor, and Application Thereof MAPK11, WEE1, NOS1 KMT2A 3961/4885KDM4E 3284/4885MAPT 4194/4885

“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.