Sugi Predict

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SCHEMBL315046

SCHEMBL315046

CCOCc1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TP53 P04637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MGLL Q99685 4/20 0.44
▸ POLB P06746 2/20 0.44
▸ TNKS O95271 1/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ PARP2 Q9UGN5 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42

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
SCHEMBL315783 0.88 TP53 (0.61) MEN1KMT2ATP53MGLLPOLB
SCHEMBL316228 0.88 ENPP2 (0.51) LMNAMAPTMEN1KMT2ATP53
SCHEMBL314745 0.81 L3MBTL1 (0.41) LMNAMAPTMEN1KMT2ATP53
SCHEMBL315401 0.80 MGLL (0.53) LMNAMAPTMEN1KMT2ATP53
SCHEMBL10189883 0.76 SMN1; SMN2 (0.54) LMNAMAPTMEN1KMT2A
SCHEMBL316787 0.75 MGLL (0.53) LMNAMAPTMEN1KMT2ATP53
SCHEMBL315951 0.72 TP53 (0.61) MEN1KMT2ATP53MGLL
SCHEMBL316303 0.72 PHGDH (0.54) LMNAMAPTMEN1KMT2ATSHR
SCHEMBL315248 0.70 MGLL (0.57) MAPTMEN1KMT2AMGLLPOLB
SCHEMBL314589 0.69 TSHR (0.75) MAPTMEN1KMT2ATSHRMGLL

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 13 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-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
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
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
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
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 LMNA 2443/4885MAPT 4829/4885MEN1 2639/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 LMNA 1738/4885MAPT 4518/4885MEN1 1081/4885

“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.