SCHEMBL18889404

SCHEMBL18889404

Cc1[nH]c2ccc(Oc3ccc(C(=O)N4CCN(CCc5ccc(F)cc5)CC4)cc3)cc2c1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.56
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ ACHE P22303 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ S1PR2 O95136 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL18889412 0.92 POLB (0.54) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889384 0.92 POLB (0.60) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889383 0.91 KMT2A (0.55) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889419 0.91 POLB (0.49) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL17444559 0.88 POLB (0.59) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889395 0.85 KMT2A (0.51) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889417 0.85 POLB (0.54) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889402 0.84 ALDH1A1 (0.51) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889385 0.84 POLB (0.58) POLBNPC1RAB9AGFERSMN1; SMN2
SCHEMBL18889397 0.84 KMT2A (0.54) POLBNPC1RAB9AGFERSMN1; SMN2

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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS Novogen ltd (AU) 2017-06-01 — — 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-20170152226-A1 FUNCTIONALISED AND SUBSTITUTED INDOLES AS ANTI-CANCER AGENTS TPM3, TPM4, TNNI3 POLB 1177/4885NPC1 4426/4885RAB9A 3537/4885

“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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