SCHEMBL10210844

SCHEMBL10210844

Cc1ccccc1-c1cccc(C(=O)N[C@@H]2CCCN(C)C2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 1/20 0.57
USP30 Q70CQ3 2/20 0.55
CHEK1 O14757 1/20 0.52
NR1H4 Q96RI1 1/20 0.50
PIK3CD O00329 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HDAC4 P56524 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
BACE1 P56817 1/20 0.46
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
MAPK1 P28482 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44
PDGFRA P16234 1/20 0.44
FLT1 P17948 1/20 0.44
FGFR3 P22607 1/20 0.44

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
SCHEMBL10210729 0.88 USP30 (0.70) USP30CHEK1PIK3CDDRD2DRD4
SCHEMBL10212160 0.83 NPC1 (0.69) USP30CHEK1NPC1RAB9AMAPK1
SCHEMBL10210831 0.82 USP30 (0.60) USP30CHEK1PIK3CDDRD2DRD4
SCHEMBL10212633 0.81 USP30 (0.56) USP30CHEK1PIK3CDDRD2DRD4
SCHEMBL10212606 0.81 USP30 (0.59) USP30CHEK1DRD2DRD4NPC1
SCHEMBL4356360 0.81 CTSL (0.57) USP30CHEK1HDAC4HDAC6PDGFRB
SCHEMBL10210847 0.81 CTSL (0.57) USP30CHEK1HDAC4HDAC6PDGFRB
SCHEMBL10211667 0.81 USP30 (0.55) USP30CHEK1DRD2DRD4NPC1
SCHEMBL10211606 0.80 SMYD3 (0.59) USP30CHEK1NPC1RAB9AHDAC4
SCHEMBL10210732 0.80 NPC1 (0.51) USP30CHEK1NPC1RAB9AHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MEYERS SQUIBB COMPANY 2012-04-05 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-20120082702-A1 NICOTINAMIDE COMPOUNDS USEFUL AS KINASE MODULATORS NADK, BTK, NAMPT SMYD2 3985/4885USP30 4807/4885CHEK1 490/4885

“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.