SCHEMBL9909430

SCHEMBL9909430

Cc1ccc2nc(-c3ccncc3)[nH]c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 1.00
RAB9A P51151 2/20 1.00
PKN1 Q16512 5/20 0.66
PKN2 Q16513 5/20 0.66
MMP2 P08253 1/20 0.61
MMP9 P14780 1/20 0.61
MMP8 P22894 1/20 0.61
MMP13 P45452 1/20 0.61
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
HPGD P15428 3/20 0.60
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
PKM P14618 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
HPSE Q9Y251 1/20 0.59
SCD O00767 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59

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
SCHEMBL13599850 0.90 NPC1 (0.81) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL13183701 0.88 NPC1 (0.78) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL20677813 0.86 NPC1 (0.75) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL276208 0.85 NPC1 (0.73) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL29899998 0.85 NPC1 (0.73) NPC1RAB9AMMP2MMP9MMP8
Ridinilazole SCHEMBL29613225 0.84 NPC1 (0.73) NPC1RAB9APKN1PKN2KDM4E
Ridinilazole SCHEMBL29785777 0.84 NPC1 (0.73) NPC1RAB9APKN1PKN2KDM4E
Ridinilazole SCHEMBL19235713 0.84 NPC1 (0.73) NPC1RAB9APKN1PKN2KDM4E
SCHEMBL6124301 0.83 NPC1 (0.71) NPC1RAB9AMMP2MMP9MMP8
SCHEMBL7388571 0.82 NPC1 (0.69) NPC1RAB9AMMP2MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
EP-2468730-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND APPLICATION THEREOF Shenyang J & Health Pharmaceutical Co., Ltd. (CN) 2012-06-27 EP disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases MAIER UDO 2009-01-29 US disclosed
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-22 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 (3 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-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SLC5A1, VHL, AKR1A1 NPC1 1110/4885RAB9A 1283/4885PKN1 1356/4885
US-20070043055-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 NPC1 1844/4885RAB9A 2056/4885PKN1 2617/4885
US-20090029990-A1 Dihydropteridinones in the treatment of respiratory diseases QDPR, DHPS, NDUFS6 NPC1 1844/4885RAB9A 2056/4885PKN1 2617/4885

“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.