SCHEMBL13736268

SCHEMBL13736268

Fc1cc2ccc(Br)cc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.39
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APP P05067 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 2/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
AHR P35869 1/20 0.33
DHPS P49366 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
DYRK1A Q13627 1/20 0.33
PPARA Q07869 1/20 0.33
BACE1 P56817 1/20 0.32

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
SCHEMBL13737297 0.83 HSP90AA1 (0.56) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL28316950 0.77 GFER (0.44) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL18878582 0.77 CYP2A6 (0.41) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL6121215 0.76 CYP2A6 (0.39) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL16279422 0.74 KDM4E (0.38) CYP2A6ALDH1A1MAPTKDM4EMEN1
SCHEMBL18791452 0.74 HDAC3 (0.49) CYP2A6MAPTKDM4EMEN1KMT2A
SCHEMBL2093940 0.74 CYP2A6 (0.38) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL4283955 0.74 MAPT (0.45) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL16693109 0.74 CYP2A6 (0.38) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E
SCHEMBL5646366 0.74 CYP2A6 (0.38) HSP90AA1CYP2A6ALDH1A1MAPTKDM4E

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4519265-A1 IRREVERSIBLE MUTEGFR INHIBITORS Bayer Aktiengesellschaft (DE) 2025-03-12 EP disclosed
WO-2023213882-A1 IRREVERSIBLE MUTEGFR INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2023-11-09 WO disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
EP-2702052-B1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2017-10-18 EP disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
US-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors FORUM PHARMACEUTICALS, INC. 2017-08-31 US disclosed
WO-2017069980-A1 AMINOISOXAZOLINE COMPOUNDS AS AGONISTS OF ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-04-27 WO disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9339501-B2 17a-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2016-05-17 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
US-9029399-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-05-12 US disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-08-14 US disclosed
EP-2702052-A1 17ALPHA-HYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2014-03-05 EP disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 WO disclosed
WO-2012149413-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-11-01 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-20170247393-A1 Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA2 HSP90AA1 4663/4885CYP2A6 1601/4885ALDH1A1 2907/4885
US-20140228386-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 HSP90AA1 2777/4885CYP2A6 112/4885ALDH1A1 73/4885

“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.