SCHEMBL24937191

SCHEMBL24937191

O=C(N1CCN(c2ccc(C(F)(F)F)cc2)CC1)n1nccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.66
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
CYP3A4 P08684 4/20 0.48
PHGDH O43175 2/20 0.48
ADAMTS5 Q9UNA0 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CCR1 P32246 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SLC6A7 Q99884 1/20 0.45
MAPT P10636 1/20 0.45
NOTUM Q6P988 1/20 0.45
ENPP2 Q13822 1/20 0.45
SLC6A9 P48067 1/20 0.44
SLC6A5 Q9Y345 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL27664248 0.86 AKR1C3 (0.85) AKR1C3CA12CA2CA9ME2
SCHEMBL24937721 0.81 AKR1C3 (0.63) AKR1C3SMN1; SMN2MAPT
SCHEMBL24937183 0.81 AKR1C3 (0.65) AKR1C3ME2ME1ME3TRPV1
SCHEMBL24937831 0.80 L3MBTL1 (0.58)
SCHEMBL24937848 0.80 AKR1C3 (0.61) AKR1C3CA12CA2CA9ME2
SCHEMBL1458650 0.79 CA12 (0.71) AKR1C3CA12CA2CA9ME2
SCHEMBL2404063 0.77 CA12 (0.69) AKR1C3CA12CA2CA9ME2
SCHEMBL5542076 0.77 CA12 (0.69) AKR1C3CA12CA2CA9ME2
SCHEMBL30807959 0.77 CA12 (0.69) AKR1C3CA12CA2CA9ME2
SCHEMBL24937782 0.77 KDM4E (0.50) AKR1C3SMN1; SMN2SLC6A7SLC6A9SLC6A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND THE UNIVERSITY OF TOKYO (JP) 2023-01-26 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 (1 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-20230024778-A1 STRIGOLACTONE RECEPTOR INHIBITOR, AGRICULTURAL COMPOSITION AND USE THEREOF, STRIGA SEED GERMINATION INHIBITOR, AND TRIAZOLE UREA COMPOUND UTS2R, TAS1R1, ULK3 AKR1C3 689/4885CA12 4770/4885CA2 3824/4885

“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.