SCHEMBL21890681

SCHEMBL21890681

Cc1ccc(-c2cc(C)cc(Cc3cnc(C)s3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 2/20 0.44
▸ CYP11B2 P19099 1/20 0.44
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NFKB1 P19838 2/20 0.36
▸ NFKB2 Q00653 2/20 0.36
▸ RELA Q04206 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ ABL1 P00519 2/20 0.35
▸ CCR6 P51684 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL14076496 0.81 LMNA (0.48) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL13183752 0.75 MAPT (0.53) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL13142435 0.71 SLC6A3 (0.43) CYP11B1CYP11B2MAPTLMNAGAA
SCHEMBL10272444 0.71 LMNA (0.64) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL1046627 0.69 RXRA (0.56) NPC1RAB9AMEN1KMT2ACYP1A2
SCHEMBL21578300 0.69 NPC1 (0.34) CYP11B1CYP11B2NPC1RAB9AMAPT
SCHEMBL752333 0.68 SMN1; SMN2 (0.52) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL12536051 0.68 KMT2A (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL10272620 0.66 POLB (0.69) RAB9AMAPTKDM4EMEN1KMT2A
SCHEMBL16598125 0.66 TBXAS1 (0.46) CYP11B1CYP11B2LMNACYP1A2CYP2D6

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-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease INTERVET INC. (US) 2020-03-19 — — 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-20200085779-A1 Compounds for the Treatment of Bovine or Swine Respiratory Disease PIGS, BTD, PPARD CYP11B1 757/4885CYP11B2 817/4885NPC1 394/4885

“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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