SCHEMBL6070016

SCHEMBL6070016

O=C1CCCC1C(=O)Nc1cccc(Br)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
RECQL P46063 1/20 0.63
GRK2 P25098 1/20 0.59
CASP6 P55212 1/20 0.59
CASP8 Q14790 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
GRM5 P41594 1/20 0.47
TGM2 P21980 1/20 0.47
UBE2M P61081 1/20 0.46
DCUN1D1 Q96GG9 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45

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
SCHEMBL8008669 0.96 GRK2 (0.61) CYP1A2RECQLGRK2CASP6CASP8
SCHEMBL7722861 0.83 CYP1A2 (0.63) CYP1A2RECQLTDP1GAAALDH1A1
SCHEMBL29140365 0.82 CYP1A2 (0.61) CYP1A2RECQLCASP6ALDH1A1KMT2A
SCHEMBL10742560 0.82 CYP1A2 (0.68) CYP1A2RECQLTDP1L3MBTL1GAA
SCHEMBL7726536 0.80 CYP1A2 (0.62) CYP1A2RECQLALDH1A1MAPTKMT2A
SCHEMBL6560372 0.79 GRK2 (0.48) CYP1A2GRK2CASP6CASP8CTDSP1
SCHEMBL3926664 0.79 GRK2 (0.64) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL2151177 0.78 GRK2 (0.68) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL28431130 0.74 GRK2 (0.58) GRK2CASP6CASP8CTDSP1TDP1
SCHEMBL1752348 0.73 GRK2 (0.58) GRK2CASP6CASP8CTDSP1TDP1

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
EP-4326720-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-02-28 EP disclosed
CN-117177972-A PARP1 inhibitors and uses thereof 新特拉有限公司 2023-12-05 CN disclosed
WO-2022225934-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2022-10-27 WO disclosed
US-7067667-B2 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors SCHERING AKTIENGESELLSCHAFT (DE) 2006-06-27 US disclosed
US-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors JAROCH STEFAN (DE) 2004-07-01 US disclosed
US-6391887-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; CARDIOVASCULAR DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-21 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-20040127712-A1 Aminoalkyl-3, 4-dihydroquinoline derivatives as no-synthase inhibitors NOS3, NOS1, NOS2 CYP1A2 50/4885RECQL 563/4885GRK2 952/4885

“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.