SCHEMBL13675635

SCHEMBL13675635

CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 6/20 1.00
MEN1 O00255 4/20 1.00
KMT2A Q03164 4/20 1.00
KDM4E B2RXH2 5/20 0.72
LMNA P02545 3/20 0.72
MAPT P10636 3/20 0.72
POLB P06746 2/20 0.72
HPGD P15428 2/20 0.72
MAPK1 P28482 1/20 0.72
TRPV1 Q8NER1 5/20 0.71
SMN1; SMN2 Q16637 5/20 0.65
ALDH1A1 P00352 4/20 0.65
NAMPT P43490 1/20 0.61
PKM P14618 1/20 0.58
HTT P42858 1/20 0.56
BLM P54132 1/20 0.56
TP53 P04637 1/20 0.56

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
SCHEMBL20214162 0.87 NPC1 (0.77) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4006434 0.84 TRPV1 (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL21593633 0.84 RAB9A (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL4006429 0.84 TRPV1 (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL16180694 0.84 RAB9A (1.00) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL20214183 0.81 MAPT (0.89) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13675888 0.80 NPC1 (0.66) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL23343643 0.78 NAMPT (0.79) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL13675776 0.78 MMP1 (0.74) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3997459 0.78 MMP1 (0.75) RAB9ANPC1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018101793-A9 AMIDE DERIVATIVE COMPOUND, STEREOISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL OR COSMETIC COMPOSITION COMPRISING SAME FOR SUPPRESSING SKIN AGING, RELIEVING WRINKLES, OR HEALING SKIN WOUNDS 서울대학교 산학협력단 2018-09-20 WO disclosed
WO-2018101793-A2 AMIDE DERIVATIVE COMPOUND, STEREOISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL OR COSMETIC COMPOSITION COMPRISING SAME FOR SUPPRESSING SKIN AGING, RELIEVING WRINKLES, OR HEALING SKIN WOUNDS 서울대학교 산학협력단 2018-06-07 WO disclosed
US-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. 2009-10-22 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7582657-B2 Treating inflammatory and neuropathic pain, headache, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, eye disorders, bladder disorders, psoriasis, skin disorders, asthma, herpes simplex AMGEN INC. (US) 2009-09-01 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 US disclosed
US-7579347-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-08-25 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 RAB9A 1356/4885NPC1 2982/4885MEN1 3504/4885

“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.