SCHEMBL1091891

SCHEMBL1091891

CCCCc1ccc(-c2cccc(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.53
▸ CYP17A1 P05093 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP11B1 P15538 1/20 0.53
▸ CYP11B2 P19099 1/20 0.53
▸ MAOA P21397 2/20 0.52
▸ HSD11B1 P28845 2/20 0.47
▸ RARB P10826 1/20 0.47
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ USP2 O75604 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ SKP2 Q13309 1/20 0.46

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
SCHEMBL20683210 0.84 CNR1 (0.42) CYP19A1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL14315232 0.83 HTR2A (0.56) CYP3A4HSD11B1RARBRAB9ASMN1; SMN2
SCHEMBL1102274 0.82 HSD11B1 (0.44) HSD11B1RARBRAB9ASMN1; SMN2HSD17B10
SCHEMBL10243468 0.82 MAOA (0.59) CYP19A1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL15198798 0.81 RARB (0.56) CYP3A4RARBRAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL1091596 0.81 HSD11B1 (0.43) HSD11B1RARBRAB9ASMN1; SMN2HSD17B10
SCHEMBL25956648 0.81 HSD11B1 (0.53) HSD11B1RARBRAB9AMEN1ALDH1A1
SCHEMBL957394 0.80 MAOA (0.61) CYP19A1CYP3A4MAOARAB9AHPGD
SCHEMBL3038687 0.80 MAOA (0.61) CYP19A1CYP3A4MAOARAB9AHPGD
SCHEMBL23222140 0.79 HSD11B1 (0.47) HSD11B1RARBMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 — — US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 — — US disclosed
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 — — US disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 — — EP disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 — — EP disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 — — US disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 — — US disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 — — US disclosed
EP-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 — — EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 — — WO disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 — — 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-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO CYP19A1 1875/4885CYP17A1 3746/4885CYP3A4 3344/4885

“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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