SCHEMBL21726124

SCHEMBL21726124

CCCC(C)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPK1 P28482 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
MAOA P21397 1/20 0.39
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
GBA1 P04062 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL15721667 1.00 PARP1 (0.42) PARP1ALDH1A1IDO1TDO2MAPK1
SCHEMBL20072497 0.86 CYP1A2 (0.44) PARP1ALDH1A1IDO1TDO2CYP1A2
SCHEMBL27494967 0.86 HDAC4 (0.44) HDAC4HDAC2HDAC8SMN1; SMN2RIPK1
SCHEMBL27407790 0.85 RIPK1 (0.48) PARP1ALDH1A1IDO1TDO2RIPK1
SCHEMBL2758515 0.84 HDAC4 (0.53) PARP1ALDH1A1IDO1TDO2MAPK1
SCHEMBL15427659 0.83 TRPA1 (0.44) PARP1ALDH1A1IDO1TDO2MAPK1
SCHEMBL26874493 0.83 PARP1 (0.41) PARP1ALDH1A1IDO1TDO2MAPK1
SCHEMBL22306322 0.82 IDO1 (0.41) ALDH1A1IDO1TDO2MAPK1MAOA
SCHEMBL27471824 0.81 ATM (0.49) PARP1ALDH1A1SMN1; SMN2
SCHEMBL18378352 0.81 PARP1 (0.41) PARP1ALDH1A1IDO1TDO2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 US disclosed
US-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2022-09-08 US disclosed
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-09-10 US disclosed
US-10561749-B2 Nuclear medicine diagnostic imaging agent KYOTO UNIVERSITY (JP) 2020-02-18 US disclosed
EP-2285783-B1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-21 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-20220280488-A1 PHARMACEUTICALLY ACTIVE PYRAZOLO-PYRIDONE MODULATORS OF DCN1/2-MEDIATED CULLIN NEDDYLATION CUL1, CUL2, NEDD8 PARP1 2624/4885ALDH1A1 2335/4885IDO1 3430/4885
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 PARP1 4259/4885ALDH1A1 2662/4885IDO1 4071/4885
US-10966967-B2 Aryl dihydropyridinones and piperidinone MGAT2 inhibitors DGAT2, MGAT2, MGAT1 PARP1 1974/4885ALDH1A1 284/4885IDO1 895/4885
US-20200281905-A1 ARYL DIHYDROPYRIDINONES AND PIPERIDINONE MGAT2 INHIBITORS DGAT2, MGAT2, MGAT1 PARP1 1974/4885ALDH1A1 284/4885IDO1 895/4885
US-10561749-B2 Nuclear medicine diagnostic imaging agent EGFR, FGFR1, ERBB2 PARP1 4146/4885ALDH1A1 2890/4885IDO1 3434/4885

“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.