SCHEMBL12867840

SCHEMBL12867840

O=C(Nc1cccc2ccccc12)c1cc(=O)cc(C(=O)Nc2cccc3ccccc23)[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.62
▸ RAB9A P51151 5/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ CYP2D6 P10635 1/20 0.62
▸ CYP2C9 P11712 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ GAA P10253 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ KMT2A Q03164 4/20 0.52
▸ CHRNB2 P17787 1/20 0.50
▸ CHRNB4 P30926 1/20 0.50
▸ CHRNA3 P32297 1/20 0.50
▸ CHRNA4 P43681 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ PARP1 P09874 1/20 0.49

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
SCHEMBL17149915 0.77 FLT3 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL17149688 0.77 NPC1 (0.52) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL30184438 0.77 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL4642544 0.77 NPC1 (1.00) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL21914836 0.77 NPC1 (0.80) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL27460160 0.77 NPC1 (0.64) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL25039576 0.75 SETD2 (0.53) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL26885232 0.74 NPC1 (0.81) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL17149669 0.74 KMT2A (0.64) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL21275460 0.74 RAB9A (0.76) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 — — US disclosed
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 — — US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 — — US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 — — US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 — — EP 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L NPC1 3591/4885RAB9A 781/4885CYP1A2 4508/4885

“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.

Send feedback