SCHEMBL391683

SCHEMBL391683

CC(C)(C)C(=O)Nc1cccnc1

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.78
NPC1 O15118 5/20 0.78
SMN1; SMN2 Q16637 1/20 0.78
TSHR P16473 1/20 0.69
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
PKM P14618 1/20 0.59
NAMPT P43490 4/20 0.57
LMNA P02545 1/20 0.57
HIF1A Q16665 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL13713486 0.83 NPC1 (0.58) RAB9ANPC1SMN1; SMN2TSHRCYP1A2
SCHEMBL19318495 0.83 TSHR (0.58) RAB9ANPC1SMN1; SMN2TSHRCYP1A2
SCHEMBL22920041 0.82 L3MBTL1 (0.60) RAB9ANPC1SMN1; SMN2PKMNAMPT
SCHEMBL2858634 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL14417064 0.80 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TSHRCYP1A2
SCHEMBL18125241 0.80 NPC1 (0.67) RAB9ANPC1SMN1; SMN2TSHRCYP1A2
SCHEMBL29602550 0.79 RAB9A (0.65) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL49506 0.79 RAB9A (0.65) RAB9ANPC1PKMNAMPTLMNA
SCHEMBL12156880 0.79 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TSHRPKM
SCHEMBL9637653 0.79 MEN1 (0.77) RAB9ANPC1TSHRPKMNAMPT

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 202 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922415-A Novel bicyclic compounds as dual ATX/CA inhibitors 豪夫迈·罗氏有限公司 2018-04-17 CN claimed
US-11873317-B2 Galectin-3 inhibiting c-glycosides GLYCOMIMETICS, INC. (US) 2024-01-16 US disclosed
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS Epizyme, Inc. 2023-11-16 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-11219625-B2 Inhibitors of N-linked glycosylation and methods using same YALE UNIVERSITY (US) 2022-01-11 US disclosed
CN-109071533-B Halogenated allylamine indole and azaindole derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2021-05-25 CN disclosed
US-10849982-B2 C3-carbon linked glutarimide degronimers for target protein degradation C4 THERAPEUTICS, INC. (US) 2020-12-01 US disclosed
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF PHARMAXIS LTD. (AU) 2020-10-08 US disclosed
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF Epizyme, Inc. 2020-10-08 US disclosed
WO-2003048137-A1 METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS MERCK & CO., INC. (US) 2003-06-12 WO disclosed
US-20030022883-A1 Compounds and their use EISAI INC. 2003-01-30 US disclosed
US-6479483-B2 3,4,6-SUBSTITUTED PYRIDINE DERIVATIVES USEFUL FOR TREATING DEPRESSION AND PAIN, RESULTING FROM INFLAMMATORY CONDITIONS, SUCH AS MIGRAINE, RHEUMATOID ARTHRITIS, ASTHMA AND INFLAMATORY BOWEL DISEASE; NK1 RECEPTOR ANTAGONIST HOFFMANN-LA ROCHE INC. 2002-11-12 US disclosed
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein BOOTH RICHARD JOHN (US) 2002-10-24 US disclosed
US-20020091265-A1 4-phenyl-pyridine derivatives BOS MICHAEL (CA) 2002-07-11 US disclosed
WO-2002044183-A2 BENZOAZEPINE AND BENZODIAZEPINE DERIVATIVES AND THEIR USE AS PARP INHIBITORS GUILFORD PHARMACEUTICALS INC. (US) 2002-06-06 WO disclosed
US-6297375-B1 4-phenyl-pyridine derivatives HOFFMANN-LA ROCHE INC. 2001-10-02 US disclosed
CN-1270959-A 4-phenyl pyridine derivatives HOFFMANN LA ROCHE (CH) 2000-10-25 CN disclosed
EP-1035115-A1 4-Phenylpyridine derivatives and their use as NK-1 receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2000-09-13 EP disclosed
CN-1111242-A Benzenesulfonamide derivative and process for preparing thereof TANABE SEIYAKU CO (JP) 1995-11-08 CN 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 (10 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-20030022883-A1 Compounds and their use PARP1, PARP2, PARP3 RAB9A 2743/4885NPC1 1117/4885SMN1; SMN2 2136/4885
US-10849982-B2 C3-carbon linked glutarimide degronimers for target protein degradation STUB1, UBE3C, UBE3A RAB9A 3792/4885NPC1 3838/4885SMN1; SMN2 4153/4885
US-20230364086-A1 COMBINATION THERAPIES WITH EHMT2 INHIBITORS EHMT2, BHMT, SHMT2 RAB9A 4230/4885NPC1 1708/4885SMN1; SMN2 2231/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 RAB9A 365/4885NPC1 3660/4885SMN1; SMN2 3149/4885
US-20200317642-A1 AMINE-SUBSTITUTED HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS AND DERIVATIVES THEREOF HNMT, EHMT2, SHMT2 RAB9A 3504/4885NPC1 1353/4885SMN1; SMN2 2190/4885
US-20020156281-A1 Amide inhibitors of microsomal triglyceride transfer protein CETP, MTTP, LCAT RAB9A 2995/4885NPC1 35/4885SMN1; SMN2 4738/4885
US-11219625-B2 Inhibitors of N-linked glycosylation and methods using same ENGASE, FUT5, B3GNT2 RAB9A 2521/4885NPC1 124/4885SMN1; SMN2 2325/4885
US-11873317-B2 Galectin-3 inhibiting c-glycosides LGALS3, LGALS3BP, LGALS1 RAB9A 2286/4885NPC1 809/4885SMN1; SMN2 3902/4885
US-20020091265-A1 4-phenyl-pyridine derivatives CBR1, CBR3, HCCS RAB9A 2854/4885NPC1 680/4885SMN1; SMN2 3866/4885
US-20200317666-A1 HALOALLYLAMINE INDOLE AND AZAINDOLE DERIVATIVE INHIBITORS OF LYSYL OXIDASES AND USES THEREOF IDO1, IDO2, INMT RAB9A 2468/4885NPC1 2894/4885SMN1; SMN2 4690/4885

“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.