SCHEMBL18526533

SCHEMBL18526533

Cc1nnnn1CCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.45
MAPK1 P28482 1/20 0.44
P2RX7 Q99572 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.32

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
SCHEMBL2091620 0.81 KMT2A (0.47) CYP1A2MAPK1P2RX7ALDH1A1KMT2A
SCHEMBL6481035 0.79 P2RX7 (0.42) CYP1A2MAPK1P2RX7CSNK2A2CSNK2B
SCHEMBL2088514 0.79 P2RX7 (0.46) CYP1A2MAPK1P2RX7ALDH1A1KMT2A
SCHEMBL2092215 0.78 SLC9A1 (0.45) CYP1A2MAPK1P2RX7ALDH1A1KMT2A
SCHEMBL10968077 0.77 KDM4E (0.50) MAPK1P2RX7ALDH1A1LMNATSHR
SCHEMBL22205094 0.77 MAPK1 (0.40) MAPK1P2RX7KMT2AMAPTLMNA
SCHEMBL11179184 0.77 P2RX7 (0.42) CYP1A2MAPK1P2RX7ALDH1A1KMT2A
SCHEMBL10850167 0.77 CYP1A2 (0.76) CYP1A2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10974169 0.76 MAPK1 (0.46) MAPK1P2RX7ALDH1A1LMNATSHR
SCHEMBL2088828 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650380-B2 Difluoromethylene compound SATO PHARMACEUTICAL CO., LTD. (JP) 2017-05-16 US disclosed
US-20170044158-A1 DIFLUOROMETHYLENE COMPOUND SATO PHARMACEUTICAL CO., LTD. (JP) 2017-02-16 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-20170044158-A1 DIFLUOROMETHYLENE COMPOUND XDH, URB2, MNAT1 CYP1A2 663/4885MAPK1 1430/4885P2RX7 3076/4885

“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.