SCHEMBL3488077

SCHEMBL3488077

O=C(CN1CCN(c2ncccn2)CC1)Nc1ccc(F)cc1F

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
PKM P14618 2/20 0.69
MAPT P10636 1/20 0.65
RAB9A P51151 1/20 0.62
MAPK1 P28482 1/20 0.62
POLB P06746 3/20 0.60
TSHR P16473 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
DRD3 P35462 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.54

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
SCHEMBL4009985 0.88 POLB (0.80) ALDH1A1MAPTRAB9APOLBTSHR
SCHEMBL4004216 0.79 DRD4 (0.63) PKMMAPTRAB9APOLBDRD2
SCHEMBL29078376 0.75 KMT2A (0.69) ALDH1A1MAPTMAPK1POLBTSHR
SCHEMBL4009678 0.75 RAB9A (0.52) ALDH1A1PKMMAPTRAB9APOLB
SCHEMBL2984890 0.75 CYP1A2 (0.59) ALDH1A1MAPTMAPK1POLBTSHR
SCHEMBL6350328 0.74 KDM4E (1.00) ALDH1A1TSHRKDM4EHTTSMN1; SMN2
SCHEMBL4006615 0.73 DRD4 (1.00) ALDH1A1KDM4EDRD2DRD4DRD3
SCHEMBL4002897 0.73 RAB9A (0.49) ALDH1A1PKMMAPTRAB9APOLB
SCHEMBL8358036 0.71 POLB (0.72) ALDH1A1MAPTMAPK1POLBTSHR
SCHEMBL8017080 0.71 ALDH1A1 (0.64) ALDH1A1MAPTRAB9AMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-9012419-B2 Methods and compositions related to eosinophil regulation UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2015-04-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
US-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-01-21 US disclosed
WO-2007136707-A2 METHODS AND COMPOSITIONS RELATED TO EOSINOPHIL REGULATION UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2007-11-29 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-20100016410-A1 Methods and Compositions Related to Eosinophil Regulation EPX, CCL11, ELANE ALDH1A1 2022/4885PKM 4482/4885MAPT 4831/4885

“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.