SCHEMBL10247484

SCHEMBL10247484

Cn1c(NCCc2c[nH]cn2)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 7/20 0.51
LMNA P02545 1/20 0.51
PDE10A Q9Y233 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 4/20 0.48
TP53 P04637 3/20 0.48
PKM P14618 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 1/20 0.46
ALOX15 P16050 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43

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
Hydrochloric Acid SCHEMBL1776708 0.99 RAB9A (0.50) RAB9ASMN1; SMN2NPC1LMNAPDE10A
SCHEMBL5114079 0.75 RAB9A (0.64) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL6204453 0.74 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL5454201 0.74 ALDH1A1 (0.70) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL9698171 0.74 RAB9A (0.62) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL12136194 0.72 RAB9A (0.68) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL5458651 0.72 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1LMNATSHR
SCHEMBL7972632 0.71 NPC1 (0.60) RAB9ASMN1; SMN2NPC1LMNAMAPK1
SCHEMBL26599007 0.69 APP (0.64) LMNAMAPK1KMT2AHTTKDM4E
SCHEMBL2391915 0.69 CYP1A2 (0.66) RAB9ANPC1LMNAALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEEN'S UNIVERSITY AT KINGSTON (CA) 2014-06-05 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-8513294-B2 Substituted imidazole derivatives and methods of use thereof for treating cancer OSTA BIOTECHNOLOGIES (CA) 2013-08-20 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System QUEENS UNIVERSITY AT KINGSTON (CA) 2012-01-26 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2011-12-29 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-7943650-B2 Methods of treating cancer with imidazolyl compounds OSTA BIOTECHNOLOGIES (CA) 2011-05-17 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System OSTA BIOTECHNOLOGIES (CA) 2009-07-09 US disclosed
WO-2008151437-A1 HEME-OXYGENASE INHIBITORS AND USE OF THE SAME IN THE TREATMENT OF CANCER AND DISEASES OF THE CENTRAL NERVOUS SYSTEM OSTA BIOTECHNOLOGIES (CA) 2008-12-18 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 (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-20110319459-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System TXNRD2, HMOX1, HMOX2 RAB9A 3526/4885SMN1; SMN2 213/4885NPC1 561/4885
US-20140155445-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 RAB9A 3968/4885SMN1; SMN2 95/4885NPC1 833/4885
US-20120020915-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 RAB9A 3968/4885SMN1; SMN2 95/4885NPC1 833/4885
US-20090176831-A1 Compounds and Methods for Treating Cancer and Diseases of the Central Nervous System HMOX1, HMOX2, CYC1 RAB9A 3919/4885SMN1; SMN2 122/4885NPC1 708/4885

“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.