SCHEMBL3503418

SCHEMBL3503418

NCCNC(=O)c1cc(Br)ccn1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
MAOB P27338 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
AKT1 P31749 1/20 0.44
GRM5 P41594 1/20 0.42
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TERT O14746 2/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41

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 SCHEMBL10707947 0.98 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1MAOBLOXL2
SCHEMBL15228259 0.87 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2ALDH1A1LOXL2KMT2A
SCHEMBL10710703 0.84 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL15104865 0.84 L3MBTL1 (0.56) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL29679606 0.82 ALDH1A1 (0.61) KDM4ESMN1; SMN2ALDH1A1LOXL2KMT2A
SCHEMBL1505656 0.82 ALDH1A1 (0.61) KDM4ESMN1; SMN2ALDH1A1LOXL2KMT2A
SCHEMBL3504843 0.81 MAOB (0.63) KDM4EALDH1A1MAOBKMT2AMEN1
SCHEMBL168844 0.81 MAOB (0.51) KDM4EMAOBLOXL2KMT2AMEN1
SCHEMBL31055423 0.81 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL31500514 0.81 KDM4E (0.58) KDM4ESMN1; SMN2ALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 US claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 WO disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-4764522-A ANTIDEPRESSANT, ANTIPARKINSON DISEASE HOFFMANN-LA ROCHE INC. (US) 1988-08-16 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 (1 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 306/4885SMN1; SMN2 3684/4885ALDH1A1 664/4885

“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.