SCHEMBL19199729

SCHEMBL19199729

CC(C)NC(=O)CCC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
FAAH O00519 1/20 0.50
MAPK1 P28482 1/20 0.50
CHRM5 P08912 1/20 0.40
CHRM3 P20309 1/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.38
MLYCD O95822 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
LMNA P02545 1/20 0.34
NLRP1 Q9C000 1/20 0.34
EPHX2 P34913 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28947382 0.84 MEN1 (0.48) MEN1KMT2AFAAHMAPK1CHRM5
SCHEMBL19200200 0.84 MEN1 (0.48) MEN1KMT2AFAAHMAPK1CHRM5
SCHEMBL24091775 0.83
SCHEMBL19200073 0.83 MEN1 (0.47) MEN1KMT2AFAAHMAPK1CHRM5
SCHEMBL9362334 0.83 MEN1 (0.47) MEN1KMT2AFAAHMAPK1CHRM5
SCHEMBL19200121 0.83 MEN1 (0.34) MEN1KMT2AFAAHMAPK1
SCHEMBL17325013 0.83 MEN1 (0.34) MEN1KMT2AFAAHMAPK1
SCHEMBL16473888 0.82 MEN1 (0.50) MEN1KMT2AFAAHMAPK1CHRM5
SCHEMBL19199686 0.81 SMN1; SMN2 (0.46) MEN1KMT2AFAAHMAPK1HPGD
Hydrochloric Acid SCHEMBL17310634 0.81 MEN1 (0.33) MEN1KMT2AFAAHMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE INTEGRAL BIOSCIENCES PRIVATE LTD (IN) 2020-08-06 US disclosed
WO-2017132022-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-08-03 WO disclosed
CN-1049495-A Butyro-derivative CIBA GEIGY AG (CH) 1991-02-27 CN 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-20200247812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ACVR1, ACVRL1, ALK MEN1 2738/4885KMT2A 2804/4885FAAH 2327/4885

“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.