SCHEMBL21485091

SCHEMBL21485091

N=C(N)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 3/20 0.58
HDAC1 Q13547 4/20 0.57
HDAC3 O15379 3/20 0.57
HDAC2 Q92769 3/20 0.57
HDAC8 Q9BY41 3/20 0.57
HDAC6 Q9UBN7 3/20 0.57
HDAC5 Q9UQL6 3/20 0.57
HDAC4 P56524 2/20 0.57
HDAC7 Q8WUI4 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC9 Q9UKV0 2/20 0.57
MAPK1 P28482 1/20 0.57
ADRA1A P35348 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR3A P46098 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
NPC1 O15118 1/20 0.52
CASP3 P42574 1/20 0.52

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
Hydrochloric Acid SCHEMBL1625456 0.98 NOS1 (0.56) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6935851 0.94 MAPT (0.57) NOS1HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL17186436 0.92 MAPT (0.55) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL6198752 0.92 MAPT (0.60) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL13819007 0.89 NOS1 (0.46) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL1891210 0.86 NOS1 (0.57) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL8781018 0.85 NOS1 (0.59) NOS1HDAC1HDAC3HDAC2HDAC8
Hydrochloric Acid SCHEMBL2338709 0.84 NOS1 (0.55) NOS1HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL12376924 0.84 NOS1 (0.43) NOS1HDAC1HDAC3HDAC2HDAC8
SCHEMBL12597686 0.82 HDAC1 (0.61) NOS1HDAC1HDAC3HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112707868-A Benzimidazole substituted halogenated phenyl n-butylamidine-based compound and preparation method thereof 山东福长药业有限公司 2021-04-27 CN disclosed
WO-2019197015-A1 COMPOSITION COMPRISING 4-PHENYLBUTYRIC ACID DERIVATIVES & OPIOIDS TRUOG PETER (CH) 2019-10-17 WO disclosed
US-9109048-B2 Inhibition of tumor growth LYTIX BIOPHARMA AS (NO) 2015-08-18 US disclosed
US-20140037657-A1 INHIBITION OF TUMOR GROWTH LYTIX BIOPHARMA AS (NO) 2014-02-06 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-20140037657-A1 INHIBITION OF TUMOR GROWTH STING1, VIP, MIF NOS1 493/4885HDAC1 2445/4885HDAC3 3949/4885

“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.