SCHEMBL22048403

SCHEMBL22048403

CCc1ccc(-c2ccc(-c3ccccc3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 1/20 0.52
CYP11B1 P15538 10/20 0.50
CYP11B2 P19099 10/20 0.50
CYP3A4 P08684 1/20 0.48
HPGDS O60760 1/20 0.46
METAP2 P50579 1/20 0.46
TP53 P04637 2/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 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
SCHEMBL152870 0.91 NPC1 (0.66) NPC1RAB9ASMN1; SMN2MAPTCYP11B1
SCHEMBL146559 0.87 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MAPTCYP11B1
Hydrochloric Acid SCHEMBL28148550 0.85 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTCYP11B1
SCHEMBL913315 0.84 HPGDS (0.58) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL29578423 0.84 HPGDS (0.58) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL25118611 0.84 HPGDS (0.58) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL903715 0.84 HPGDS (0.58) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL12523550 0.84 HPGDS (0.58) NPC1RAB9ASMN1; SMN2CYP11B1CYP11B2
SCHEMBL20370130 0.84 CYP11B1 (0.65) CYP11B1CYP11B2CYP3A4HPGDS
SCHEMBL803150 0.83 RAB9A (0.69) NPC1RAB9ASMN1; SMN2MAPTCYP11B1

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-20230209990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-29 US disclosed
US-10672996-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2020-06-02 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 (2 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-20230209990-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES L3MBTL3, AGO2, ELAVL3 NPC1 1321/4885RAB9A 478/4885SMN1; SMN2 3342/4885
US-10672996-B2 Organic electroluminescent materials and devices ORC3, EML4, EPCAM NPC1 2913/4885RAB9A 2216/4885SMN1; SMN2 4702/4885

“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.