SCHEMBL7536615

SCHEMBL7536615

Cc1ccc(C[Mg]Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
SKP2 Q13309 1/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP2C9 P11712 1/20 0.33
NQO1 P15559 2/20 0.32
NR1H4 Q96RI1 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL1006697 0.77 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL29559999 0.73 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL5633593 0.73 IDO1 (0.46) CYP1A2ALDH1A1LMNAMAPTMEN1
SCHEMBL539541 0.73 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL29597103 0.72 PTGS1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL31371688 0.72 ESR1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL30876036 0.72 ESR1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL29380988 0.72 PTGS1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL311076 0.72 ESR1 (0.61) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1
SCHEMBL311370 0.72 PTGS1 (0.45) CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors ABBOTT LABORATORIES 2002-07-11 US disclosed
WO-2002022576-A2 3-SUBSTITUTED INDOLE CARBOHYDRAZIDES USEFUL AS CELL PROLIFERATION AND ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2002-03-21 WO disclosed
US-6323228-B1 INHIBITING ANGIOGENESIS IN A MAMMAL IN RECOGNIZED NEED OF SUCH TREATMENT COMPRISING ADMINISTERING TO THE MAMMAL WITH INDOLE SUBSTITUTED WITH HYDRAZIDES ABBOTT LABORATORIES 2001-11-27 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-20020091148-A1 3-substituted indole antiproliferative angiogenesis inhibitors MKI67, FLT4, IDO1 CYP1A2 1856/4885CYP3A4 2360/4885CYP2D6 2666/4885

“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.