SCHEMBL1992777

SCHEMBL1992777

CCOC(=O)c1cnc(OCC)nc1N

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
NPC1 O15118 9/20 0.60
SMN1; SMN2 Q16637 9/20 0.60
ALDH1A1 P00352 8/20 0.60
MAPT P10636 6/20 0.60
TP53 P04637 1/20 0.60
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
LMNA P02545 4/20 0.54
HSD17B10 Q99714 2/20 0.54
TSHR P16473 2/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL11083717 0.89 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL14221023 0.85 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16697354 0.84 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6604256 0.84 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3222155 0.84 HSP90AA1 (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4769593 0.84 MAPT (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11790304 0.83 HSP90AA1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL3278900 0.83 CYP1A2 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL5768324 0.83 HSP90AA1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10958445 0.83 SMN1; SMN2 (0.62) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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-20110150961-A1 ANTI-INFECTIVE CATHETERS ANGIOTECH INTERNATIONAL AG (CH) 2011-06-23 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-20110150961-A1 ANTI-INFECTIVE CATHETERS NACA, PUF60, POLR1C RAB9A 3583/4885NPC1 4600/4885SMN1; SMN2 2770/4885

“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.