SCHEMBL2089700

SCHEMBL2089700

COCCCc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.50
LOXL2 Q9Y4K0 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 3/20 0.45
CYP2D6 P10635 3/20 0.45
CYP2C9 P11712 3/20 0.45
HRH3 Q9Y5N1 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
NAAA Q02083 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL27652480 0.94 HRH1 (0.53) HRH1LOXL2ALDH1A1KDM4ECYP3A4
SCHEMBL2093952 0.92 HRH1 (0.57) HRH1LOXL2ALDH1A1KDM4ECYP3A4
SCHEMBL12197609 0.88 CYP3A4 (0.49) HRH1ALDH1A1KDM4ECYP3A4CYP2D6
SCHEMBL5402692 0.86 LOXL2 (0.50) HRH1LOXL2ALDH1A1KDM4ECYP3A4
SCHEMBL11974605 0.81 ALDH1A1 (0.50) HRH1LOXL2ALDH1A1KDM4ECYP3A4
SCHEMBL20698384 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2D6CYP1A2CYP2C19
SCHEMBL2089697 0.78 HRH1 (0.50) HRH1LOXL2ALDH1A1KDM4ECYP3A4
SCHEMBL726645 0.78 HRH1 (0.73) HRH1LOXL2ALDH1A1CYP3A4CYP2D6
SCHEMBL351920 0.78 HRH1 (0.65) HRH1LOXL2ALDH1A1CYP3A4CYP2D6
SCHEMBL24512134 0.78 HRH1 (0.46) HRH1LOXL2ALDH1A1KDM4ECYP3A4

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
CN-117702142-A C (C) 4 Process for preparing substituted pyridine derivatives 五邑大学 2024-03-15 CN disclosed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
US-20080293704-A1 FACTOR Xa INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2008-11-27 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 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 (3 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-20080293704-A1 FACTOR Xa INHIBITORS TFPI, F12, F11 HRH1 1629/4885LOXL2 1405/4885ALDH1A1 1468/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 HRH1 501/4885LOXL2 3512/4885ALDH1A1 412/4885
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 HRH1 98/4885LOXL2 2111/4885ALDH1A1 1526/4885

“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.