SCHEMBL2828248

SCHEMBL2828248

Cc1cc(CC(=O)NN)on1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.67
P2RX7 Q99572 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
EPHX2 P34913 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
CCNE1 P24864 4/20 0.40
CDK2 P24941 4/20 0.40
GSK3B P49841 3/20 0.40
CSF1R P07333 1/20 0.39
IDO1 P14902 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 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
Hydrochloric Acid SCHEMBL314902 0.98 VHL (0.65) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL14310605 0.84 VHL (0.69) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL23866627 0.81 VHL (0.65) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL314832 0.81 VHL (0.65) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL2829023 0.81 VHL (0.44) VHLALDH1A1POLBMEN1KMT2A
SCHEMBL1698651 0.80 VHL (0.58) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL21661625 0.80 VHL (1.00) VHLP2RX7ALDH1A1SMN1; SMN2CCNE1
SCHEMBL23331085 0.80 VHL (0.63) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL6251 0.78 VHL (0.60) VHLP2RX7ALDH1A1POLBSMN1; SMN2
SCHEMBL4093165 0.78 VHL (0.60) VHLP2RX7ALDH1A1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
EP-1937688-B1 IMIDAZO BENZODIAZEPINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-08-11 EP disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-7507729-B2 for the treatment of cognitive disorders, anxiety, schizophrenia, and Alzheimer's disease; ligands; GABA A alpha 5 receptor inhibitors; 3-bromo-10-chloro-6-(2-oxo-pyrrolidin-1-ylmethyl)-9H-imidazo[1,5-a][1,2,4]triazolo[1,5-d][1,4]benzodiazepine HOFFMANN-LA ROCHE INC. (US) 2009-03-24 US disclosed
EP-1937688-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-07-02 EP disclosed
WO-2007042421-A1 IMIDAZO BENZODIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-19 WO disclosed
US-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives BANK OF AMERICA, N.A., AS ADMINISTRATIVE AGENT 2007-04-12 US disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 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 (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-20070082890-A1 Substituted imidazo-[1,5-a][1,2,4]triazolo[1,5-d][1,4] benzodiazepine derivatives GABRA5, GABRA1, GABRA4 VHL 3994/4885P2RX7 583/4885ALDH1A1 313/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 VHL 961/4885P2RX7 288/4885ALDH1A1 2031/4885

“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.