SCHEMBL4172750

SCHEMBL4172750

CC(C)(C)C(=O)C=Cc1cncc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
RAB9A P51151 5/20 0.41
NPC1 O15118 5/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PADI4 Q9UM07 1/20 0.40
POLB P06746 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HSD17B3 P37058 1/20 0.37
HTT P42858 4/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 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
SCHEMBL4172746 1.00 KMT2A (0.44) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL4168194 0.89 PADI4 (0.40) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL4168186 0.89 PADI4 (0.40) KMT2ARAB9ANPC1ALDH1A1LMNA
SCHEMBL9118435 0.81 GLA (0.44) RAB9ANPC1ALDH1A1PADI4POLB
SCHEMBL9118450 0.81 GLA (0.44) RAB9ANPC1ALDH1A1PADI4POLB
SCHEMBL17157766 0.81 PADI4 (0.39) RAB9ANPC1ALDH1A1LMNAPADI4
SCHEMBL17157768 0.81 PADI4 (0.39) RAB9ANPC1ALDH1A1LMNAPADI4
SCHEMBL3717088 0.80 BACE1 (0.40) RAB9AALDH1A1LMNAPADI4POLB
SCHEMBL3350951 0.80 PADI4 (0.38) KMT2ARAB9ANPC1ALDH1A1PADI4
SCHEMBL3717090 0.80 BACE1 (0.40) RAB9AALDH1A1LMNAPADI4POLB

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-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK KMT2A 3277/4885RAB9A 149/4885NPC1 1909/4885

“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.