SCHEMBL25531879

SCHEMBL25531879

Cc1cc2cc(C(=O)N[C@H]3CCN(C)C3)[nH]c2c(F)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.43
HRH4 Q9H3N8 4/20 0.42
SYK P43405 2/20 0.41
SETD2 Q9BYW2 6/20 0.40
NSD2 O96028 2/20 0.40
ROCK2 O75116 1/20 0.39
GHSR Q92847 1/20 0.39
CYP2C8 P10632 1/20 0.38
DRD2 P14416 1/20 0.38
HTR1B P28222 1/20 0.38
MLLT1 Q03111 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL3606689 0.83 SMYD3 (0.45) SMYD3HRH4SYKSETD2NSD2
SCHEMBL3606686 0.83 SMYD3 (0.45) SMYD3HRH4SYKSETD2NSD2
SCHEMBL3606879 0.81 SETD2 (0.43) SMYD3SETD2NSD2CYP2C8DRD2
SCHEMBL3614315 0.81 SETD2 (0.43) SMYD3SETD2NSD2CYP2C8DRD2
SCHEMBL3606876 0.81 SETD2 (0.43) SMYD3SETD2NSD2CYP2C8DRD2
SCHEMBL25531863 0.80 DRD4 (0.41) SMYD3HRH4SETD2NSD2
SCHEMBL3604285 0.80 SMYD3 (0.67) SMYD3HRH4SYKSETD2NSD2
SCHEMBL3610017 0.80 SMYD3 (0.67) SMYD3HRH4SYKSETD2NSD2
SCHEMBL3604282 0.80 SMYD3 (0.67) SMYD3HRH4SYKSETD2NSD2
SCHEMBL3602478 0.77 SETD2 (0.50) SMYD3HRH4SETD2NSD2CYP2C8

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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES FORWARD THERAPEUTICS, INC. 2023-05-18 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-20230151018-A1 INHIBITORS OF PROTEIN ARGININE DEIMINASES PADI2, PADI1, PADI4 SMYD3 650/4885HRH4 2377/4885SYK 2709/4885

“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.