SCHEMBL2989617

SCHEMBL2989617

CCC(CC)NNC(=O)c1ccncc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.67
MAOB P27338 1/20 0.67
PTGS2 P35354 1/20 0.67
HPGD P15428 3/20 0.61
LMNA P02545 1/20 0.61
ALDH1A1 P00352 1/20 0.60
TP53 P04637 1/20 0.56
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC2 Q92769 1/20 0.55
GAA P10253 3/20 0.54
CA1 P00915 2/20 0.54
CA9 Q16790 2/20 0.54
KDM4E B2RXH2 1/20 0.52
MPO P05164 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2A6 P11509 1/20 0.52

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
SCHEMBL3001440 0.85 MAOA (0.70) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL20988170 0.81 HDAC1 (0.59) LMNAALDH1A1TP53HDAC3HDAC1
Iproniazid SCHEMBL4153 0.80 MAOA (1.00) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL3001881 0.79 MAOA (0.96) MAOAMAOBPTGS2HPGDLMNA
Iproniazid SCHEMBL3597361 0.79 MAOA (0.96) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL3363035 0.78 MAOA (0.70) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL13609084 0.78 ALDH1A1 (0.63) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2999066 0.77 MAOA (0.68) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2992964 0.77 ALDH1A1 (1.00) MAOAMAOBPTGS2HPGDLMNA
SCHEMBL2992612 0.77 HDAC3 (0.70) MAOAMAOBPTGS2HPGDLMNA

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-10696707-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2020-06-30 US disclosed
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2019-05-09 US disclosed
US-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS BRIDGE BIORESEARCH RIGHTS (JERSEY) LIMITED (GB) 2010-07-22 US disclosed
EP-2068873-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS Pharma 2100 (DK) 2009-06-17 EP disclosed
WO-2008031440-A2 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS PHARMA 2100 (DK) 2008-03-20 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 (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-20100184811-A1 ISONIAZID MEDIATED HEALING OF WOUNDS AND ULCERS ODC1, OTC, ACACB MAOA 1140/4885MAOB 975/4885PTGS2 430/4885
US-20190135847-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 MAOA 2448/4885MAOB 645/4885PTGS2 4187/4885
US-10696707-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 MAOA 2448/4885MAOB 645/4885PTGS2 4187/4885

“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.