SCHEMBL6865350

SCHEMBL6865350

O=CC1CCN(C(=O)c2ccncc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.55
▸ GAA P10253 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ RECQL P46063 1/20 0.51
▸ CYP3A4 P08684 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA7 P36544 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL4893989 0.85 ACHE (0.65) KDM4EPOLBSMN1; SMN2EPHX1L3MBTL3
SCHEMBL27240744 0.83 GAA (0.58) GAAPOLBSMN1; SMN2CHRNB2CHRNB4
SCHEMBL13607630 0.82 KMT2A (0.65) SMN1; SMN2EPHX2L3MBTL3
SCHEMBL30059026 0.81 RECQL (0.65) KDM4EGAAPOLBRECQLCYP3A4
SCHEMBL22119220 0.81 KDM4E (0.59) KDM4EGAAPOLBRECQLCYP3A4
SCHEMBL13744553 0.79 ACHE (0.72) KDM4EGAAPOLBRECQLTP53
SCHEMBL4703332 0.79 KDM4E (0.57) KDM4EGAAPOLBRECQLCYP3A4
SCHEMBL4703329 0.79 KDM4E (0.61) KDM4EGAAPOLBRECQLCYP3A4
SCHEMBL8293030 0.78 MEN1 (0.63) KDM4EPOLBSMN1; SMN2
SCHEMBL16783134 0.78 ABCG2 (0.58) KDM4EGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 — — US claimed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 — — US claimed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 — — US claimed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 — — US claimed
CN-1311771-A Benzamidine derivative AJINOMOTO KK (JP) 2001-09-05 — — CN claimed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 — — EP claimed
US-6812231-B2 INHIBITING ACTIVATED BLOOD-COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-02 — — US disclosed
US-20020107290-A1 Benzamidine derivative AJINOMOTO CO., INC. (JP) 2002-08-08 — — US disclosed
US-6410538-B2 ANTICOAGULANT OR AN AGENT FOR TREATING OR PREVENTING THROMBI OR EMBOLI AJINOMOTO CO., INC. (JP) 2002-06-25 — — US disclosed
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli AJINOMOTO CO., INC (JP) 2001-12-27 — — US disclosed
CN-1311771-A Benzamidine derivative AJINOMOTO KK (JP) 2001-09-05 — — CN disclosed
EP-1086946-A1 BENZAMIDINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2001-03-28 — — EP 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-20020107290-A1 Benzamidine derivative SERPINE1, SERPINC1, TFPI KDM4E 3660/4885GAA 229/4885POLB 2726/4885
US-20010056123-A1 Anticoagulant or an agent for treating or preventing thrombi or emboli SERPINC1, SERPINE1, F2 KDM4E 4253/4885GAA 228/4885POLB 3455/4885

“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.

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