SCHEMBL2926997

SCHEMBL2926997

CN(C)CCNC(=O)c1ccc(I)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
SETD7 Q8WTS6 1/20 0.56
HPGD P15428 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
NAMPT P43490 1/20 0.51
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
USP2 O75604 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
TSHR P16473 1/20 0.50

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
SCHEMBL30046741 0.91 ALDH1A1 (0.73) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL9511746 0.90 HPGD (0.68) ALDH1A1HPGDSMN1; SMN2HTTTHRA
SCHEMBL11407954 0.84 ALDH1A1 (0.65) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL6207528 0.84 SMN1; SMN2 (0.67) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL1209964 0.83 LMNA (0.72) ALDH1A1SMN1; SMN2THRBLMNAMAPK1
SCHEMBL19418228 0.83 ALDH1A1 (0.63) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL1409860 0.83 LMNA (0.71) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL4171218 0.83 HDAC1 (0.68) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL21531026 0.83 ALDH1A1 (0.63) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL1241975 0.83 ALDH1A1 (0.63) ALDH1A1SETD7HPGDSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458886-B1 AGENTS FOR DIAGNOSING AND TREATING MELANOMAS, AROMATIC HALOGENATED DERIVATIVES USABLE AS SUCH AGENTS AND THEIR PREPARATION INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-10-13 EP claimed
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
EP-3012250-B1 ISOQUINOLINE MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2017-11-08 EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 EP disclosed
EP-2044058-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 EP disclosed
US-20100240686-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-23 US disclosed
CN-101472916-A Chemical compounds ASTRAZENECA AB (SE) 2009-07-01 CN disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 EP disclosed
WO-2007148070-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-12-27 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 (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-20100240686-A1 CHEMICAL COMPOUNDS CCNI, CDKN1A, CCNB1 ALDH1A1 174/4885SETD7 3705/4885HPGD 609/4885

“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.