SCHEMBL17618775

SCHEMBL17618775

O=C(NCc1ccccc1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ VCP P55072 1/20 0.42
▸ CNR2 P34972 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ IDH2 P48735 2/20 0.40
▸ CHRM2 P08172 3/20 0.39
▸ CHRM1 P11229 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38

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
SCHEMBL16238924 0.92 TP53 (0.42) TRPV4TSHRKMT2AVCPIDH2
SCHEMBL17618776 0.90 ASAH1 (0.40) TRPV4TSHRKMT2AIDH2CHRM2
SCHEMBL17618777 0.90 ASAH1 (0.42) TRPV4TSHRKMT2AIDH2CHRM2
SCHEMBL19689756 0.89 KMT2A (0.41) TSHRKMT2ACNR2IDH2
SCHEMBL17778734 0.88 KCNH2 (0.42) TSHRKMT2AIDH2LIPG
Hydrochloric Acid SCHEMBL19689854 0.88 KMT2A (0.40) TSHRKMT2ACNR2IDH2
SCHEMBL17768260 0.87 KMT2A (0.40) TSHRKMT2APOLBCNR2IDH2
SCHEMBL17618348 0.87 IDH2 (0.45) KMT2AIDH2LMNA
SCHEMBL19862439 0.87 KMT2A (0.41) TRPV4TSHRKMT2ANPC1POLB
SCHEMBL19699710 0.87 ITGB2 (0.42) TSHRKMT2AIDH2LIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV4 4461/4885TSHR 2703/4885KMT2A 1287/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TRPV4 4133/4885TSHR 3064/4885KMT2A 1438/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 TRPV4 4133/4885TSHR 3064/4885KMT2A 1438/4885

“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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