SCHEMBL7863438

SCHEMBL7863438

O=c1c2cnc3cccc(n1CC1CCN(S(=O)(=O)C(F)(F)F)CC1)n32

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 3/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
CNR1 P21554 8/20 0.33
CNR2 P34972 2/20 0.33
PDE5A O76074 2/20 0.33
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
TNF P01375 1/20 0.32
LITAF Q99732 1/20 0.32
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL7870297 0.92 HTR2A (0.33) USP1CNR1CNR2
Hydrochloric Acid SCHEMBL7872413 0.91 HTR7 (0.33) USP1CNR1CNR2
SCHEMBL7868743 0.91 KDM4E (0.37) USP1KDM4EALDH1A1NPSR1HSD17B10
SCHEMBL7871549 0.90 USP1 (0.33) USP1ALDH1A1HSD17B10CNR1CNR2
SCHEMBL8713347 0.84 HTR1A (0.34) USP1CNR1CNR2
SCHEMBL7871653 0.80 PDE5A (0.37) USP1KDM4EALDH1A1HSD17B10CNR1
Hydrochloric Acid SCHEMBL7872363 0.79 PDE5A (0.36) USP1KDM4EALDH1A1HSD17B10CNR1
Hydrochloric Acid SCHEMBL7863365 0.78 KDM4E (0.38) KDM4EALDH1A1NPSR1HSD17B10GRIN1
SCHEMBL7868936 0.76 KCNH2 (0.33) KDM4EALDH1A1CNR1CNR2HPGD
SCHEMBL7863410 0.76 PIK3CA (0.46) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US claimed
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP claimed
JP-10182644-A None JP disclosed
US-20010051631-A1 Tricyclic compounds, their production and use TAKATANI MUNEO (JP) 2001-12-13 US disclosed
US-6251905-B1 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
JP-H10182644-A TRICYCLIC COMPOUND, ITS PRODUCTION AND MEDICING USING THE SAME TAKEDA CHEM IND LTD 1998-07-07 JP disclosed
EP-0826686-A2 Tricyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-04 EP 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-20010051631-A1 Tricyclic compounds, their production and use PDGFA, HGF, REN USP1 2422/4885KDM4E 834/4885ALDH1A1 2398/4885

“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.