SCHEMBL5845185

SCHEMBL5845185

[CH]=Cc1cnc2ccccc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
KDM4E B2RXH2 4/20 0.43
GPR3 P46089 1/20 0.43
PIM1 P11309 1/20 0.43
PAX8 Q06710 1/20 0.43
ALDH1A1 P00352 6/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.41
PDGFRB P09619 1/20 0.41
PDGFRA P16234 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
BCHE P06276 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.39

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
SCHEMBL525672 0.82 PDE10A (0.50) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL27321431 0.78 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL896448 0.78 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL3559408 0.78 PDE10A (0.47) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL97699 0.78 ALDH1A1 (0.47) PDE10ARAB9ANPC1KDM4EGPR3
Hydrochloric Acid SCHEMBL28114264 0.77 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL27991306 0.77 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL28747408 0.77 ALDH1A1 (0.46) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL6852382 0.75 RAB9A (0.50) PDE10ARAB9ANPC1KDM4EGPR3
SCHEMBL6852218 0.75 RAB9A (0.50) PDE10ARAB9ANPC1KDM4EGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125442-B2 Lightfast additive having UV-absorbing moiety and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-10-24 US disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-20040237837-A1 Lightfast additive having UV-absorbing moiety and ink composition including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-12-02 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
CN-1054598-C Pharmacologically active hydrazine derivatives and processes for preparation thereof NORVATIS CO (CH) 2000-07-19 CN disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 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 (2 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-20040237837-A1 Lightfast additive having UV-absorbing moiety and ink composition including the same CDK4, CDKL4, UGT1A4 PDE10A 1106/4885RAB9A 3228/4885NPC1 4637/4885
US-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 PDE10A 1370/4885RAB9A 362/4885NPC1 429/4885

“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.