SCHEMBL17149770

SCHEMBL17149770

O=C(NCc1ccncc1)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.76

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NHERF1 O14745 2/20 0.76
▸ PYGL P06737 5/20 0.68
▸ HDAC3 O15379 1/20 0.62
▸ HDAC1 Q13547 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HRH4 Q9H3N8 2/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.58
▸ NAMPT P43490 3/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ CNR1 P21554 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ POLB P06746 1/20 0.55

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
SCHEMBL17149781 0.90 NHERF1 (0.88) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL18766925 0.87 NHERF1 (0.79) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL17149767 0.85 NHERF1 (0.80) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL18750638 0.85 NHERF1 (0.80) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL17149780 0.84 NHERF1 (0.73) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL8182807 0.83 NHERF1 (0.54) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL25002623 0.83 NHERF1 (0.76) NHERF1PYGLHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8687321 0.82 NHERF1 (0.53) NHERF1PYGLHDAC3HDAC1HDAC2
Hydrochloric Acid SCHEMBL8687837 0.81 NHERF1 (0.52) NHERF1PYGLHDAC3HDAC1HDAC2
SCHEMBL4276269 0.81 HDAC1 (0.67) HDAC3HDAC1HDAC2NAMPTCYP2C9

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 NHERF1 3852/4885PYGL 60/4885HDAC3 419/4885
US-10167257-B2 Indole derivatives for use in medicine IDO1, IDO2, TDO2 NHERF1 3785/4885PYGL 63/4885HDAC3 445/4885
US-20170107178-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 NHERF1 3785/4885PYGL 63/4885HDAC3 445/4885
US-20190084933-A1 INDOLE DERIVATIVES FOR USE IN MEDICINE IDO1, IDO2, TDO2 NHERF1 3748/4885PYGL 65/4885HDAC3 383/4885

“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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