SCHEMBL3061575

SCHEMBL3061575

O=C(CO)Nc1ccc2ncc(CCOc3ccccc3Cl)c(=O)n2c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
NOTUM Q6P988 2/20 0.41
MAOB P27338 1/20 0.40
MEN1 O00255 6/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
SENP2 Q9HC62 1/20 0.38
SENP1 Q9P0U3 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.37
GAA P10253 1/20 0.37
ESR2 Q92731 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL3071934 0.81 NOTUM (0.43) KMT2AALDH1A1NOTUMMEN1GAA
SCHEMBL3064700 0.75 SCD (0.49) KMT2ASMN1; SMN2MEN1POLB
SCHEMBL2317751 0.67 SCD (0.61) ALDH1A1SMN1; SMN2RAB9AMAPTLMNA
SCHEMBL2316914 0.67 SCD (0.62) RAB9AMAPTLMNAPOLBGAA
SCHEMBL216410 0.65 KMT2A (0.45) KMT2AALDH1A1SMN1; SMN2NOTUMMEN1
SCHEMBL1022114 0.65 LMNA (0.46) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL27794205 0.63 TP53 (0.60) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL7995034 0.60 NPC1 (0.59) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL7991473 0.59 NPC1 (0.70) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL3758951 0.59 MEN1 (0.60) KMT2AALDH1A1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 US claimed
US-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS GILEAD PALO ALTO, INC. (US) 2010-10-21 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-20100267748-A1 HETEROCYCLIC COMPOUNDS USEFUL AS STEAROYL CoA DESATURASE INHIBITORS SCD, SCD5, FADS2 KMT2A 2199/4885ALDH1A1 293/4885SMN1; SMN2 2207/4885

“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.