SCHEMBL23143565

SCHEMBL23143565

O=C1Cc2ccc(C(=O)Nc3ccccc3)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.56
SMYD3 Q9H7B4 2/20 0.55
CRBN Q96SW2 2/20 0.54
HDAC1 Q13547 2/20 0.52
HDAC3 O15379 2/20 0.52
PTPN1 P18031 2/20 0.51
PLAU P00749 1/20 0.50
FABP7 O15540 1/20 0.48
FABP5 Q01469 1/20 0.48
NPC1 O15118 2/20 0.48
PKM P14618 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NFKB1 P19838 1/20 0.48
MAOB P27338 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
HDAC2 Q92769 2/20 0.47

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
SCHEMBL396708 0.92 KCNK3 (0.57) TRPV1SMYD3CRBN
SCHEMBL31139504 0.89 SMYD3 (0.58) TRPV1SMYD3HDAC3PTPN1
SCHEMBL3660176 0.89 SMYD3 (0.58) TRPV1SMYD3HDAC3PTPN1
SCHEMBL24124323 0.89 TRPV1 (0.50) TRPV1SMYD3CRBNHDAC1HDAC3
SCHEMBL25921128 0.88 GPR27 (0.60) TRPV1NPC1PKMRAB9ASMN1; SMN2
SCHEMBL23143516 0.86 BACE1 (0.56) TRPV1SMYD3CRBNNPC1PKM
SCHEMBL29899567 0.86 BACE1 (0.56) TRPV1SMYD3CRBNNPC1PKM
SCHEMBL395950 0.86 TRPV1 (0.59) TRPV1CRBNPTPN1NPC1RAB9A
SCHEMBL9375259 0.82 RARB (0.55) HDAC1HDAC3PTPN1PLAUNPC1
SCHEMBL18006544 0.80 EPHX2 (0.54) SMYD3CRBNHDAC1HDAC3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 US disclosed
CN-114929670-A Therapeutic compounds and methods of use thereof 新加坡科技研究局 2022-08-19 CN disclosed
EP-4034526-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Agency for Science, Technology and Research (A*STAR) (SG) 2022-08-03 EP disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 US disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 WO disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 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 (2 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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 TRPV1 4807/4885SMYD3 4261/4885CRBN 342/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP TRPV1 4784/4885SMYD3 3653/4885CRBN 33/4885

“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.