SCHEMBL18529798

SCHEMBL18529798

Nc1c(Cl)cc(-c2ccc(C(=O)N3CCC(F)(F)CC3)cc2)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 1/20 0.42
▸ FASN P49327 5/20 0.41
▸ PDE5A O76074 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE1A P54750 1/20 0.40
▸ PDE1B Q01064 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE7A Q13946 1/20 0.40
▸ PDE1C Q14123 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PDE7B Q9NP56 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HDAC3 O15379 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL18529770 0.83 LRRK2 (0.47) FASNPDE5APDE4APDE1APDE1B
SCHEMBL18530550 0.78 FASN (0.44) FASNPDE5APDE4APDE1APDE1B
SCHEMBL18529778 0.76 PDE5A (0.38) HSD11B1FASNPDE5APDE4APDE1A
SCHEMBL31622580 0.75 PDE5A (0.46) FASNPDE5APDE4APDE1APDE1B
SCHEMBL31622708 0.75 PDE5A (0.41) FASNPDE5APDE4APDE1APDE1B
SCHEMBL21166248 0.74 SLC6A7 (0.57) HSD11B1FASNHPGDABL1BCR
SCHEMBL15058756 0.74 ALDH1A1 (0.60) HSD11B1HPGDKMT2AALDH1A1LMNA
SCHEMBL1948437 0.74 MGLL (0.49) HPGDKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL17054868 0.74 CA12 (0.55) HPGDKMT2AALDH1A1LMNAMAPT
SCHEMBL18530522 0.74 HPGD (0.45) FASNPDE5APDE4APDE1APDE1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. 2018-08-30 — — US disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO disclosed
WO-2017031204-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS Karyopharm Therapeutics Inc. (US) 2017-02-23 — — WO 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-20180244660-A1 CYCLOPROPYLDERIVATIVES AND THEIR USE AS KINASE INHIBITORS MALT1, BCL9, IKBKE HSD11B1 738/4885FASN 2195/4885PDE5A 496/4885

“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.

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