SCHEMBL13675889

SCHEMBL13675889

CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cn2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.70
SMN1; SMN2 Q16637 7/20 0.70
ALDH1A1 P00352 1/20 0.70
NPC1 O15118 6/20 0.60
LMNA P02545 5/20 0.60
KDM4E B2RXH2 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
MAPK1 P28482 1/20 0.56
TRPV1 Q8NER1 5/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DEGS1 O15121 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
STAT1 P42224 1/20 0.50
TNIK Q9UKE5 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
SCHEMBL14529229 0.85 RAB9A (0.60) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13675887 0.85 RAB9A (0.70) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL20213834 0.82 TRPV1 (0.62) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13675883 0.80 NPC1 (0.74) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13675888 0.79 NPC1 (0.66) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL10019336 0.76 CYP1A2 (0.70) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL13988370 0.75 RAB9A (0.54) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL20214827 0.75 NPC1 (0.63) RAB9ASMN1; SMN2ALDH1A1NPC1LMNA
SCHEMBL13675880 0.75 RAB9A (0.56) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL20213821 0.74 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNAKDM4E

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 9 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-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
EP-1764358-A2 Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain Amgen, Inc (US) 2007-03-21 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-20090264424-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS TRPV1, TRPV2, TRPV3 RAB9A 1356/4885SMN1; SMN2 2515/4885ALDH1A1 3238/4885

“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.