SCHEMBL5667100

SCHEMBL5667100

N#Cc1ccccc1N1CCCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
TP53 P04637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HTR1A P08908 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
NOTUM Q6P988 1/20 0.41
HSD17B10 Q99714 2/20 0.41
GRM2 Q14416 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
DRD2 P14416 1/20 0.39

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
SCHEMBL2530710 0.90 RXFP1 (0.43) ALDH1A1TP53NPC1RAB9ALMNA
SCHEMBL10620840 0.80 ROCK1 (0.49) ALDH1A1TP53NPC1RAB9ALMNA
SCHEMBL5653129 0.80 KDM4E (0.50) ALDH1A1LMNAMEN1KMT2AHSD17B10
SCHEMBL12069929 0.78 TBK1 (0.42) ALDH1A1TP53LMNAHSD17B10HPGD
SCHEMBL2527978 0.78 EGLN2 (0.44) ALDH1A1TP53NPC1RAB9ALMNA
SCHEMBL1016531 0.78 SMN1; SMN2 (0.42) ALDH1A1LMNAKMT2AHTR1AADRA1A
SCHEMBL12068136 0.78 LMNA (0.47) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL30332265 0.77 TYK2 (0.53) ALDH1A1TP53NPC1RAB9ALMNA
SCHEMBL20140061 0.76 HTR2C (0.40) ALDH1A1HTR1AADRA1AADRA1BNOTUM
SCHEMBL7787664 0.75 HSD17B10 (0.53) ALDH1A1TP53MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807621-B2 Compounds and compositions for use in treating skin disorders KAMARI PHARMA LTD. (IL) 2023-11-07 US disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
CN-102066327-B Iminopyridine derivatives and use thereof TAKEDA PHARMACEUTICAL 2013-05-29 CN disclosed
US-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases CAPRARO HANS-GEORG 2007-09-13 US disclosed
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US disclosed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP disclosed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP disclosed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 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 (2 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-20070213355-A1 1H-Imidazo[4,5-C]Quinoline Derivatives in the Treatment of Protein Kinase Dependent Diseases ABL1, PRKCA, PRKCQ ALDH1A1 2948/4885TP53 2463/4885NPC1 2080/4885
US-11807621-B2 Compounds and compositions for use in treating skin disorders RDX, HAX1, F12 ALDH1A1 629/4885TP53 942/4885NPC1 1904/4885

“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.