SCHEMBL21498009

SCHEMBL21498009

O=C(CN1CCCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.72
LMNA P02545 6/20 0.72
TP53 P04637 2/20 0.72
ALDH1A1 P00352 8/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
HPGD P15428 1/20 0.67
HTT P42858 3/20 0.67
USP2 O75604 2/20 0.67
CYP3A4 P08684 2/20 0.67
CYP2D6 P10635 2/20 0.67
CYP2C19 P33261 2/20 0.67
POLB P06746 2/20 0.67
MCOLN3 Q8TDD5 1/20 0.67
NPSR1 Q6W5P4 2/20 0.66
MAPK1 P28482 2/20 0.66
GAA P10253 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2C9 P11712 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.63
RXFP1 Q9HBX9 1/20 0.62

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
SCHEMBL7292316 0.88 MAPT (0.69) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL26546756 0.81 KDR (0.76) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL12139485 0.79 HPGD (0.74) MAPTLMNAALDH1A1SMN1; SMN2HPGD
SCHEMBL13250942 0.79 SMN1; SMN2 (1.00) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL4443052 0.78 KDR (0.71) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL13004812 0.78 KDR (0.71) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL12139490 0.78 HPGD (0.71) LMNAALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL5804247 0.77 KDR (0.69) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL5804246 0.77 KDR (0.69) MAPTLMNATP53ALDH1A1SMN1; SMN2
SCHEMBL14422910 0.77 KDR (0.69) MAPTLMNATP53ALDH1A1SMN1; SMN2

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-10448632-B2 Control of plant stress tolerance, water use efficiency and gene expression using novel ABA receptor synthetic agonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-10-22 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-10448632-B2 Control of plant stress tolerance, water use efficiency and gene expression using novel ABA receptor synthetic agonists NPBWR1, AVPR1A, AAK1 MAPT 4664/4885LMNA 4858/4885TP53 2771/4885

“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.