SCHEMBL21243974

SCHEMBL21243974

NCC(O)(F)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
HIF1A Q16665 1/20 0.45
TAAR1 Q96RJ0 2/20 0.45
SLC6A2 P23975 1/20 0.45
FDPS P14324 1/20 0.44
LOXL2 Q9Y4K0 2/20 0.42
CES1 P23141 2/20 0.41
CYP2A6 P11509 1/20 0.39
HTR2A P28223 1/20 0.39
KIF11 P52732 2/20 0.39
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
PRMT1 Q99873 1/20 0.38
TSHR P16473 3/20 0.38
KCNA5 P22460 1/20 0.38
RECQL P46063 1/20 0.38
LMNA P02545 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
SCHEMBL925449 0.77 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL3712396 0.77 TAAR1 (0.48) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL5610136 0.77 CYP1A2 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9271997 0.76 TAAR1 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL1396353 0.74 TAAR1 (0.56) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL6438136 0.74 SMN1; SMN2 (0.55) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL9070292 0.73 SLC6A2 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL4982665 0.73 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
Hydrochloric Acid SCHEMBL6509443 0.72 TAAR1 (0.54) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A
SCHEMBL5885752 0.72 TAAR1 (0.58) CYP1A2CYP2C9CYP2C19SMN1; SMN2HIF1A

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-20190248956-A1 POLY(L-LYSINE ISOLPHTHALAMIDE) (PLP) POLYMERS WITH HYDROPHOBIC PENDANT CHAINS IMPERIAL INNOVATIONS LIMITED (GB) 2019-08-15 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-20190248956-A1 POLY(L-LYSINE ISOLPHTHALAMIDE) (PLP) POLYMERS WITH HYDROPHOBIC PENDANT CHAINS PLP2, LNPEP, PLPBP CYP1A2 4861/4885CYP2C9 4866/4885CYP2C19 4852/4885

“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.