SCHEMBL5962947

SCHEMBL5962947

Nc1ccc2c(c1)N=C[C@@H]1CCCN1C2=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.36
▸ DDB1 Q16531 1/20 0.35
▸ HSD17B10 Q99714 4/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HRAS P01112 1/20 0.34
▸ ERBB2 P04626 1/20 0.33
▸ GFER P55789 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ GRIA1 P42261 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL19339957 0.81 HTR2C (0.40) HSD17B10ALDH1A1HRASERBB2ACHE
SCHEMBL3266517 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1GAANOS1HPGD
SCHEMBL3269541 0.80 ALDH1A1 (0.41) HSD17B10ALDH1A1GAANOS1HPGD
SCHEMBL17915861 0.80 ERBB2 (0.36) HSD17B10HRASERBB2HRH3
SCHEMBL19339958 0.78 MEN1 (0.38) HSD17B10ALDH1A1HRASERBB2CYP2D6
SCHEMBL15127837 0.76 HRAS (0.45) ALDH1A1HRASERBB2
SCHEMBL12364479 0.75 ERBB2 (0.50) HSD17B10ALDH1A1HRASERBB2ACHE
SCHEMBL4408064 0.75 ERBB2 (0.50) HSD17B10ALDH1A1HRASERBB2ACHE
SCHEMBL2619564 0.75 ERBB2 (0.37) HRASERBB2GRIA1
SCHEMBL5963318 0.73 GABRA1 (0.41) HSD17B10ALDH1A1GAAHRH3HPGD

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
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 — — EP claimed
US-7067511-B2 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2006-06-27 — — US disclosed
US-7049311-B1 Pyrrolbenzodiazepines SPIROGEN LIMITED (GB) 2006-05-23 — — US disclosed
EP-1109812-B1 PYRROLOBENZODIAZEPINES SPIROGEN LTD (GB) 2005-05-04 — — EP disclosed
EP-1413582-A1 Dimeric pyrrolobenzodiazepines Spirogen Limited (GB) 2004-04-28 — — EP disclosed
US-20030120069-A1 Pyrrolobenzodiazepines SPIROGEN LIMITED (GB) 2003-06-26 — — US disclosed
EP-1193270-A2 Pyrrolobenzodiazepines Spirogen Limited (GB) 2002-04-03 — — 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-20030120069-A1 Pyrrolobenzodiazepines CNR1, CBX2, CNR2 CRBN 531/4885DDB1 390/4885HSD17B10 1799/4885

“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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