SCHEMBL17149688

SCHEMBL17149688

O=C(Nc1cccc2ccccc12)c1cc2ccc(F)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ LMNA P02545 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ FLT3 P36888 1/20 0.48
▸ AR P10275 1/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ CCKAR P32238 1/20 0.46
▸ HDAC2 Q92769 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
SCHEMBL17149915 0.90 FLT3 (0.58) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL17149667 0.86 MAPT (0.50) CYP3A4MEN1KMT2ATP53POLB
SCHEMBL17149708 0.84 CYP1A2 (0.61) CYP1A2CYP3A4LMNASMN1; SMN2MEN1
SCHEMBL17149669 0.82 KMT2A (0.64) NPC1RAB9ACYP3A4CYP2C9CYP2C19
SCHEMBL29176348 0.80 NPC1 (0.71) NPC1RAB9ALMNASMN1; SMN2AR
SCHEMBL12867840 0.77 NPC1 (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL29124091 0.77 NPC1 (0.76) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL19476097 0.76 NPC1 (0.64) NPC1RAB9ALMNASMN1; SMN2FLT3
SCHEMBL27336654 0.75 FLT3 (0.58) NPC1RAB9ACYP2C19LMNAFLT3
SCHEMBL21828995 0.75 PTGES (0.59) NPC1RAB9ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858319-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2020-12-08 — — US disclosed
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2019-03-21 — — US disclosed
US-10167257-B2 Indole derivatives for use in medicine IOMET PHARMA LTD. (GB) 2019-01-01 — — US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 — — US disclosed
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD. (GB) 2017-04-20 — — US disclosed
WO-2015150097-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IOMET PHARMA LTD (GB) 2015-10-08 — — 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 (4 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-10858319-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 NPC1 3828/4885RAB9A 4388/4885CYP1A2 67/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 NPC1 3840/4885RAB9A 4322/4885CYP1A2 64/4885
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 NPC1 3840/4885RAB9A 4322/4885CYP1A2 64/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 NPC1 3773/4885RAB9A 4265/4885CYP1A2 67/4885

“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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