SCHEMBL21960124

SCHEMBL21960124

COC(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
P2RX1 P51575 6/20 0.53
JUN P05412 3/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53

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
SCHEMBL17448400 0.90 P2RX1 (0.63) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL21959841 0.85 P2RX1 (0.60) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL21937530 0.84 P2RX1 (0.56) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL26786131 0.84 JUN (0.59) P2RX1JUNNFKB1NFKB2RELA
SCHEMBL31677649 0.82 TLR7 (0.61) CYP1A2P2RX1JUNNFKB1NFKB2
SCHEMBL13561074 0.80 KMT2A (0.72) MAPTRAB9AALDH1A1TSHRP2RX1
SCHEMBL15832435 0.78 MAPT (0.56) MAPTSMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL31677612 0.77 ACKR3 (0.50) CYP1A2HPGDP2RX1JUNNFKB1
SCHEMBL26786944 0.77 ACKR3 (0.50) CYP1A2HPGDP2RX1JUNNFKB1
SCHEMBL17448401 0.77 POLB (0.64) MAPTNPC1RAB9ASMN1; SMN2KDM4E

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-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template THE SCRIPPS RESEARCH INSTITUTE (US) 2020-12-08 US disclosed
US-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template THE SCRIPPS RESEARCH INSTITUTE 2020-04-30 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 (2 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-20200131213-A1 Remote Heteroaryl Alkenylation With Catalytic Bifunctional Template APEH, ALKBH3, JMJD7 MAPT 2812/4885NPC1 4290/4885RAB9A 3246/4885
US-10858383-B2 Remote heteroaryl alkenylation with catalytic bifunctional template APEH, ALKBH3, JMJD7 MAPT 2812/4885NPC1 4290/4885RAB9A 3246/4885

“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.