SCHEMBL531992

SCHEMBL531992

CC(C)NC(=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
TAS1R3 Q7RTX0 4/20 0.55
TAS1R1 Q7RTX1 4/20 0.55
TAS1R2 Q8TE23 2/20 0.55
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNE1 P15382 1/20 0.50
KCNQ1 P51787 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
MLYCD O95822 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
CASP3 P42574 1/20 0.48
KMT2A Q03164 1/20 0.48
SENP7 Q9BQF6 1/20 0.48

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
SCHEMBL22151150 0.84 SMN1; SMN2 (0.52) SMN1; SMN2TAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL13146304 0.84 MLYCD (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL4419910 0.84 GRN (0.63) TAS1R3TAS1R1TAS1R2MLYCDGRN
SCHEMBL31079673 0.84 MLYCD (0.54) TAS1R3TAS1R1TAS1R2KCNQ3KCNQ2
SCHEMBL22151152 0.83 SMN1; SMN2 (0.51) SMN1; SMN2TAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL10260172 0.81 MLYCD (0.51) TAS1R3TAS1R1MLYCDNPSR1MAPT
SCHEMBL532631 0.81 TAS1R3 (0.55) SMN1; SMN2TAS1R3TAS1R1TAS1R2KCNQ3
SCHEMBL25031639 0.80 ALDH1A1 (0.51) TAS1R3TAS1R1MLYCDNPSR1MEN1
SCHEMBL21555257 0.80 MLYCD (0.50) TAS1R3TAS1R1MLYCDNPSR1MEN1
SCHEMBL16987307 0.80 MAPT (0.53) TAS1R3TAS1R1MLYCDNPSR1GRN

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF DICE MOLECULES SV, INC. 2024-06-27 US disclosed
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-9187497-B2 Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2015-11-17 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-01-29 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8822470-B2 Substituted pyrido[2,3-b]pyrazines TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-7928105-B2 Substituted 6a,7,8,9-tetrahydropyrido[3,2-e]pyrrolo[1,2-a]pyrazin-6(5H)-ones TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-04-19 US disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
WO-2010111626-A2 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
US-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 US disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
WO-2010085570-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-07-29 WO disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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 (4 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-20100190763-A1 Poly (ADP-Ribose) Polymerase (PARP) Inhibitors PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885TAS1R3 2197/4885TAS1R1 2174/4885
US-20240208968-A1 ALPHA V BETA 6 AND ALPHA V BETA 1 INTEGRIN INHIBITORS AND USES THEREOF ITGB1, ITGA1, ITGAV SMN1; SMN2 2217/4885TAS1R3 992/4885TAS1R1 475/4885
US-20150031652-A1 POLY (ADP-RIBOSE) POLYMERASE (PARP) INHIBITORS PARP1, PARP3, PARP2 SMN1; SMN2 1693/4885TAS1R3 2197/4885TAS1R1 2174/4885
US-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SMN1; SMN2 723/4885TAS1R3 2695/4885TAS1R1 1832/4885

“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.