SCHEMBL18088394

SCHEMBL18088394

Cc1ccc(CNCC2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ HDAC6 Q9UBN7 2/20 0.60
▸ HDAC3 O15379 1/20 0.55
▸ HDAC4 P56524 1/20 0.55
▸ HDAC1 Q13547 1/20 0.55
▸ HDAC8 Q9BY41 1/20 0.55
▸ HDAC5 Q9UQL6 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CXCR4 P61073 3/20 0.52
▸ ESRRA P11474 1/20 0.51
▸ MMP13 P45452 1/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ EPHX2 P34913 1/20 0.45
▸ CXCL12 P48061 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL13792281 0.95 RAB9A (0.56) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL22917361 0.91 CXCR4 (0.56) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL24211482 0.84 NPC1 (0.49) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL9906707 0.84 CXCR4 (0.51) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL3861590 0.84 HDAC6 (0.62) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL20625943 0.83 CXCR4 (0.53) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL3085761 0.82 HDAC6 (0.60) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL8041968 0.82 SMN1; SMN2 (0.65) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL7248082 0.82 HDAC6 (0.60) RAB9ANPC1HDAC6HDAC3HDAC4
SCHEMBL10764797 0.81 CXCR4 (0.63) RAB9ANPC1HDAC6HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350180-A Industrial preparation method and application of high-purity alpha-aminonitrile 哈尔滨理工大学 2025-01-24 — — CN disclosed
EP-3769757-A2 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY The General Hospital Corporation (US) 2021-01-27 — — EP disclosed
US-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY THE GENERAL HOSPITAL CORPORATION 2016-09-22 — — 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-20160271276-A1 IMAGING HISTONE DEACETYLASES WITH A RADIOTRACER USING POSITRON EMISSION TOMOGRAPHY HDAC1, HDAC11, HDAC3 RAB9A 1599/4885NPC1 381/4885HDAC6 13/4885

“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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