SCHEMBL7528860

SCHEMBL7528860

CC(C)(C)OC(=O)NCCSc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.62
MTNR1B P49286 1/20 0.62
IDO1 P14902 2/20 0.56
NPC1 O15118 9/20 0.56
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 7/20 0.56
RECQL P46063 1/20 0.56
HPGD P15428 4/20 0.54
USP2 O75604 1/20 0.54
ALDH1A1 P00352 4/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50

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
SCHEMBL31298914 0.88 HPGD (0.55) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL3716262 0.87 IDO1 (0.47) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL7894530 0.87 MTNR1A (0.48) MTNR1AMTNR1BIDO1HPGDALDH1A1
SCHEMBL17548578 0.85 IDO1 (0.51) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL22015112 0.85 ALDH1A1 (0.53) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL24671054 0.85 IDO1 (0.49) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL10493769 0.85 IDO1 (0.46) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL4612706 0.85 IDO1 (0.46) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL18295921 0.85 L3MBTL1 (0.55) MTNR1AMTNR1BIDO1NPC1RAB9A
SCHEMBL8771970 0.84 MTNR1A (0.51) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380228-B1 E.G., N-(2-PHENYLSULFONYL-1-ETHYL)-3-(4-CYANOPHENYL)-2,3-DIHYDRO-IMIDAZO(2,1 -B)THIAZOLE-5-CARBOXAMIDE HYDROCHLORIDE; TREATING CANCER, NEUROFIBROMIN BENIGN PROLIFERATIVE DISORDER, RETINAL VASCULARIZATION, AND HEPATITIS DELTA MERCK & CO., INC. 2002-04-30 US disclosed
US-20020045759-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. 2002-04-18 US disclosed
WO-2001076694-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-10-18 WO 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-20020045759-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE FNTA, KRAS, PTAR1 MTNR1A 4022/4885MTNR1B 4190/4885IDO1 4282/4885

“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.