SCHEMBL6816201

SCHEMBL6816201

COc1ccc(C(=O)Nc2ccc(N)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.83
NPC1 O15118 11/20 0.83
SMN1; SMN2 Q16637 7/20 0.83
TP53 P04637 5/20 0.83
ALOX15 P16050 1/20 0.83
KMT2A Q03164 6/20 0.73
MEN1 O00255 3/20 0.73
LMNA P02545 3/20 0.73
POLB P06746 2/20 0.73
PKM P14618 2/20 0.73
APEX1 P27695 1/20 0.73
TDP1 Q9NUW8 1/20 0.73
ALDH1A1 P00352 5/20 0.68
CYP1A2 P05177 2/20 0.68
KDM4E B2RXH2 1/20 0.68
GAA P10253 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL11462217 1.00 RAB9A (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL6799157 0.91 RAB9A (1.00) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL10016092 0.91 RAB9A (0.69) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL5501099 0.88 ALOX5 (0.68) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL14490986 0.87 RAB9A (0.83) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL15580882 0.86 NPC1 (0.74) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8769709 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22192206 0.86 RAB9A (0.89) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL8771228 0.86 POLB (0.79) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL22694283 0.86 POLB (0.79) RAB9ANPC1SMN1; SMN2TP53ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108530444-B Novel NAMPT and IDO dual inhibitor and preparation method and medical application thereof 药康众拓(江苏)医药科技有限公司 2021-08-24 CN disclosed
US-11078165-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-08-03 US disclosed
US-11078165-B2 Compounds for treating tuberculosis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2021-08-03 US disclosed
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-23 US disclosed
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-07-23 US disclosed
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity ABIVAX (FR) 2020-01-21 US disclosed
CN-110520412-A Compounds for the treatment of tuberculosis UNIV NANYANG TECH 2019-11-29 CN disclosed
CN-105884699-B 4- substituted aniline quinazoline derivative and its preparation method and application 中国药科大学 2019-05-07 CN disclosed
CN-108530444-A A kind of novel NAMPT and IDO double inhibitors and preparation method thereof and medical usage 中国药科大学 2018-09-14 CN disclosed
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY ABIVAX (FR) 2018-05-10 US disclosed
US-6255349-B1 PREVENTION REPRODUCTION; VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2001-07-03 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed
US-6201013-B1 INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH) INHIBITOR; SIDE EFFECT REDUCTION, NON-DRUG RESISTANT AMERICAN HOME PRODUCTS CORPORATION 2001-03-13 US disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed
US-6166028-A Diaminopuridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-26 US disclosed
WO-2000034261-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A SUBSTITUTED PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034238-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034237-A2 ACETAMIDE AND SUBSTITUTED ACETAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034258-A2 HETEROCYCLIC CARBOXAMIDE-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 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 (4 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-11078165-B2 Compounds for treating tuberculosis ATP5ME, ATP5MG, ATP5F1D RAB9A 2809/4885NPC1 1580/4885SMN1; SMN2 4805/4885
US-20180127353-A1 COMPOUNDS FOR USE AS THERAPEUTIC AGENTS AFFECTING P53 EXPRESSION AND/OR ACTIVITY TP53, TP53BP1, BCOR RAB9A 615/4885NPC1 2190/4885SMN1; SMN2 2920/4885
US-10538485-B2 Compounds for use as therapeutic agents affecting P53 expression and/or activity TP53, TP53BP1, BCOR RAB9A 615/4885NPC1 2190/4885SMN1; SMN2 2920/4885
US-20200231550-A1 COMPOUNDS FOR TREATING TUBERCULOSIS ATP5ME, ATP5MG, ATP5F1D RAB9A 2809/4885NPC1 1580/4885SMN1; SMN2 4805/4885

“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.