SCHEMBL901145

SCHEMBL901145

Cc1cc(N2CCC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 8/20 0.33
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
MAPT P10636 6/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 5/20 0.31
HPGD P15428 3/20 0.31
MITF O75030 1/20 0.31
NTSR1 P30989 1/20 0.31
LMNA P02545 2/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
AR P10275 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
SCHEMBL1292216 0.82 ACLY (0.37) TDP1AR
SCHEMBL14844514 0.82 ACLY (0.37) TDP1AR
SCHEMBL901574 0.81 AR (0.44) AR
SCHEMBL16572730 0.81 AR (0.32) L3MBTL1AR
SCHEMBL540303 0.80 CYP3A4 (0.32) AR
Ammonia Solution, Strong SCHEMBL27989415 0.80 NOTUM (0.32) MEN1KMT2ASMN1; SMN2AR
SCHEMBL901766 0.79 KDM4E (0.31) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL901765 0.79 KDM4E (0.31) ALDH1A1MAPTNPSR1HPGDKDM4E
SCHEMBL901767 0.79 SMN1; SMN2 (0.36) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL14851127 0.79 PDK2 (0.37) ALDH1A1MAPTHPGDARKDM4E

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
EP-2621897-A1 IMINE COMPOUNDS BASF SE (DE) 2013-08-07 EP disclosed
US-20130184320-A1 Imine Compounds BASF SE (DE) 2013-07-18 US disclosed
WO-2012042006-A1 IMINE COMPOUNDS BASF SE (DE) 2012-04-05 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 (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-20130184320-A1 Imine Compounds INMT, PNMT, IPO5 NPC1 2051/4885RAB9A 1217/4885PKM 582/4885

“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.