SCHEMBL8660074

SCHEMBL8660074

CCCC[n+]1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ MAPT P10636 3/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTT P42858 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ LMNA P02545 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ CYP2A6 P11509 1/20 0.48
▸ TSHR P16473 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ RAD52 P43351 3/20 0.44
▸ HSP90AA1 P07900 3/20 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
Bromide SCHEMBL8663821 0.98 KMT2A (0.48) KMT2AMEN1MAPTHDAC8TP53
Hydrochloric Acid SCHEMBL11600265 0.98 MEN1 (0.48) KMT2AMEN1MAPTHDAC8TP53
Hydrochloric Acid SCHEMBL8775080 0.90 KMT2A (0.60) KMT2AMEN1MAPTTP53CYP1A2
Bromide SCHEMBL5489286 0.90 KMT2A (0.60) KMT2AMEN1MAPTTP53CYP1A2
SCHEMBL28333937 0.87 HDAC8 (0.54) KMT2AMEN1MAPTHDAC8TP53
SCHEMBL21350643 0.87 HDAC8 (0.52) KMT2AMEN1MAPTHDAC8TP53
Bromide SCHEMBL10609243 0.85 HDAC8 (0.52) KMT2AMEN1MAPTHDAC8TP53
Bromide SCHEMBL8425884 0.85 HDAC8 (0.50) HDAC8CYP2A6ACHE
Bromide SCHEMBL8428013 0.83 HDAC8 (0.48) HDAC8ACHE
Bromide SCHEMBL8425890 0.83 HDAC8 (0.48) HDAC8ACHE

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
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 — — CN claimed
JP-10316661-A — — None — — JP disclosed
US-10626335-B2 Process for removing metals from hydrocarbons PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2020-04-21 — — US disclosed
CN-106661735-B Palladium plating solution and palladium coating film obtained using the same 日本高纯度化学株式会社 2019-12-10 — — CN disclosed
WO-2010116165-A2 PROCESS FOR REMOVING METALS FROM HYDROCARBONS PETROLIAM NASIONAL BERHAD (PETRONAS) (MY) 2010-10-14 — — WO disclosed
JP-H10316661-A SALT OF 1-(1-BUTYL)-4-CYANOPYRIDINIUM AND ITS PRODUCTION KOEI CHEM CO LTD 1998-12-02 — — JP disclosed
US-4182797-A AS CATHODE WITH LITHIUM ANODE, LITHIUM IODIDE ELECTROLYTE; USED FOR PACRMAKERS MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1980-01-08 — — 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-10626335-B2 Process for removing metals from hydrocarbons SHH, AHR, HTT KMT2A 848/4885MEN1 353/4885MAPT 432/4885

“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.

Send feedback