Sugi Predict

Sugi Predict / Compounds / SCHEMBL316688

SCHEMBL316688

SCHEMBL316688

O=C(Cn1nccn1)NNC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.35
▸ YAP1 P46937 1/20 0.34
▸ TEAD4 Q15561 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33

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
SCHEMBL16399800 0.77 KMT2A (0.41) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL314394 0.73 ALDH1A1 (0.41) KDM4ELMNAALDH1A1CYP2C19KMT2A
SCHEMBL316549 0.72 KDM4E (0.37) KDM4ELMNAALDH1A1CYP2C19KMT2A
SCHEMBL16401131 0.71 KMT2A (0.40) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL4957354 0.69 HTR2B (0.33) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23443581 0.67 KDM4E (0.65) KDM4EALDH1A1KMT2ACYP3A4PTPN1
SCHEMBL6294730 0.66 HDAC8 (0.52) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL1034955 0.65 SMN1; SMN2 (0.54) LMNAALDH1A1KMT2AMEN1NPSR1
SCHEMBL1501616 0.65 SMN1; SMN2 (0.40) KDM4ELMNAALDH1A1KMT2AMEN1
SCHEMBL23443550 0.64 KMT2A (0.71) KDM4EALDH1A1CYP2C19KMT2AMEN1

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 6 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-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 — — US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 — — US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 — — EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 — — WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 — — 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 (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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 KDM4E 3377/4885LMNA 2443/4885ALDH1A1 2650/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KDM4E 954/4885LMNA 1738/4885ALDH1A1 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.