SCHEMBL20697374

SCHEMBL20697374

O=[N+]([O-])c1cc(Cl)cnc1OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.37
TYK2 P29597 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CHUK O15111 1/20 0.36
MAPK1 P28482 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
IP6K1 Q92551 1/20 0.35
AHR P35869 1/20 0.34
KDM4E B2RXH2 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
PIN1 Q13526 1/20 0.33
TSHR P16473 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
SCHEMBL19171721 0.89 BCL6 (0.40) TYK2ALDH1A1SMN1; SMN2CHUKMAPK1
SCHEMBL19171907 0.85 NOS3 (0.43) ALDH1A1MAPK1L3MBTL1
SCHEMBL20697467 0.83 TYK2 (0.42) CNR1TYK2SMN1; SMN2CHUK
SCHEMBL20697468 0.83 TYK2 (0.42) CNR1TYK2SMN1; SMN2CHUK
SCHEMBL20697372 0.82 TYK2 (0.40) TYK2NPC1CHUKMAPK1IP6K1
SCHEMBL20697399 0.82 TYK2 (0.40) TYK2NPC1CHUKMAPK1IP6K1
SCHEMBL26833674 0.78 IRAK4 (0.37) TYK2ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20689400 0.78 SMN1; SMN2 (0.46) TYK2ALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL20689361 0.78 IRAK4 (0.37) TYK2ALDH1A1KMT2ARAB9AL3MBTL1
SCHEMBL8514116 0.76 PIN1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2CHUK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-23 US disclosed
US-11046698-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-06-29 US disclosed
US-10577373-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-03-03 US disclosed
US-10570145-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-25 US disclosed
US-10562906-B2 TYK2 inhibitors and uses thereof Nimbus Lakshimi, Inc. (US) 2020-02-18 US disclosed
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-22 US disclosed
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 US disclosed
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-01-31 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 (10 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-11046698-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20190256519-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20190031664-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20190241577-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-10562906-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20190241576-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20190241575-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-20230056447-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-10570145-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885
US-10577373-B2 TYK2 inhibitors and uses thereof TYK2, JAK2, JAK1 CNR1 4281/4885TYK2 1/4885ALDH1A1 4827/4885

“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.