Sugi Predict

Sugi Predict / Compounds / SCHEMBL10193530

SCHEMBL10193530

SCHEMBL10193530

[C-]#[N+]c1cc(Br)c2ncc(C(=O)OCC)c(Cl)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 7/20 0.39
▸ MAOB P27338 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10193529 0.87 KMT2A (0.41) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL19782938 0.84 KMT2A (0.55) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10193543 0.84 KMT2A (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL13652346 0.83 KMT2A (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL866612 0.80 KMT2A (0.50) KMT2AMEN1ALDH1A1MAPK1USP2
SCHEMBL16577331 0.80 KMT2A (0.50) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL29440746 0.78 KMT2A (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL22734646 0.78 KMT2A (0.56) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL31373004 0.77 KMT2A (0.55) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6293263 0.77 KMT2A (0.68) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-03 — — US disclosed
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF COLUMBIA UNIVERSITY (US) 2015-03-19 — — US disclosed
US-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-03-29 — — 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 (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-20120076732-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885NPC1 2129/4885
US-20150080394-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885NPC1 2129/4885
US-20170216275-A1 PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, PDE5A, PDE4A KMT2A 3277/4885MEN1 1930/4885NPC1 2129/4885

“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.