SCHEMBL21497321

SCHEMBL21497321

O=C(NC1CCCC1)c1cccc(-c2ccc(N3CCNCC3)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 1/20 0.57
HPGDS O60760 1/20 0.53
HDAC2 Q92769 4/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 3/20 0.52
KCNH2 Q12809 1/20 0.50
ERN1 O75460 1/20 0.49
BMPR1B O00238 2/20 0.49
BMPR1A P36894 2/20 0.49
TGFBR1 P36897 2/20 0.49
ACVRL1 P37023 2/20 0.49
ACVR1 Q04771 2/20 0.49
IKBKE Q14164 1/20 0.48
TBK1 Q9UHD2 1/20 0.48
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
MAPK14 Q16539 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP30 Q70CQ3 1/20 0.45

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
SCHEMBL18427056 0.88 HPGDS (0.60) HPGDSHDAC2HDAC1HDAC3KCNH2
SCHEMBL21132341 0.87 PRKD1 (0.52) SMOHPGDSERN1BMPR1BBMPR1A
SCHEMBL6769761 0.82 HPGDS (0.70) HPGDSKCNH2USP30
Hydrochloric Acid SCHEMBL20293639 0.79 HDAC2 (0.55) HDAC2HDAC1HDAC3KCNH2IKBKE
SCHEMBL15244966 0.77 KCNH2 (0.56) HDAC2HDAC1HDAC3KCNH2BMPR1B
SCHEMBL15244897 0.77 KCNH2 (0.56) HDAC2HDAC1HDAC3KCNH2BMPR1B
SCHEMBL1745423 0.74 L3MBTL3 (0.46) SMOHDAC1ACVR1
SCHEMBL15615176 0.74 SMO (0.75) SMOHPGDSHDAC2HDAC1HDAC3
SCHEMBL16812022 0.74 SMO (0.83) SMOHPGDSHDAC2HDAC1HDAC3
SCHEMBL15615178 0.74 DYRK1A (0.65) SMOL3MBTL1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450286-B2 Compounds and compositions for inhibition of FASN FORMA THERAPEUTICS, INC. (US) 2019-10-22 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-10450286-B2 Compounds and compositions for inhibition of FASN FASN, FABP1, SCD SMO 4621/4885HPGDS 959/4885HDAC2 3288/4885

“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.