SCHEMBL16693618

SCHEMBL16693618

Cc1cn(C)c(C(=O)Nc2ccc3oc(F)cc3c2)n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.48
▸ MAOB P27338 5/20 0.39
▸ F12 P00748 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ HCRTR1 O43613 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MAOA P21397 1/20 0.35
▸ MAPT P10636 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
SCHEMBL16693549 0.80 BACE1 (0.46) BACE1MAOBF12ALDH1A1NPC1
SCHEMBL16693602 0.78 BACE1 (0.48) BACE1MAOBSMN1; SMN2NPC1RAB9A
SCHEMBL26725632 0.77 HRAS (0.43) BACE1ALDH1A1HSD17B10SMN1; SMN2NPC1
SCHEMBL26725482 0.74 HTR2C (0.56) BACE1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL26725267 0.73 BACE1 (0.50) BACE1F12SMN1; SMN2NPC1RAB9A
SCHEMBL16693604 0.73 RAB9A (0.50) BACE1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL19313222 0.70 TGM2 (0.44) BACE1MAOBALDH1A1SMN1; SMN2NPC1
SCHEMBL16693603 0.68 NAMPT (0.64) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL20581201 0.67 HRH4 (0.41) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL14543164 0.67 P2RY12 (0.42) BACE1SMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321774-B2 Pyrrolobenzodiazepines MEDIMMUNE LIMITED (GB) 2016-04-26 — — US disclosed
US-20150126495-A1 PYRROLOBENZODIAZEPINES MEDIMMUNE LIMITED (GB) 2015-05-07 — — 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-20150126495-A1 PYRROLOBENZODIAZEPINES CHRM1, CHRM2, CHRM3 BACE1 3215/4885MAOB 513/4885F12 640/4885

“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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