SCHEMBL4899910

SCHEMBL4899910

Fc1cccc(F)c1CN1CCCNCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 10/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CHRM2 P08172 1/20 0.56
CHRM1 P11229 1/20 0.56
ADRA2C P18825 1/20 0.56
CCR2 P41597 1/20 0.56
CXCL12 P48061 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HRH3 Q9Y5N1 1/20 0.56
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
TSHR P16473 1/20 0.51
SIGMAR1 Q99720 1/20 0.47
CYP2A13 Q16696 1/20 0.45
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2925984 0.93 KDM4E (0.57) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL2010728 0.90 CYP2A13 (0.61) CXCR4MEN1KMT2ACHRM2CHRM1
SCHEMBL10211855 0.84 ALDH1A1 (0.62) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL807442 0.82 ALDH1A1 (0.63) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL209940 0.82 CYP2A13 (0.68) MEN1KMT2ATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7429353 0.81 CYP2A13 (0.66) MEN1KMT2ATDP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7405658 0.80 ALDH1A1 (0.61) MEN1KMT2AHRH3ALDH1A1KDM4E
Ammonia Solution, Strong SCHEMBL28443624 0.80 ALDH1A1 (0.61) MEN1KMT2AHRH3ALDH1A1KDM4E
SCHEMBL16225643 0.80 ALDH1A1 (0.72) MEN1KMT2ATDP1ALDH1A1KDM4E
SCHEMBL917408 0.80 SLC6A2 (0.47) CXCR4ALDH1A1KDM4EPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
US-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases GALAPAGOS NV (BE) 2008-10-02 US disclosed
WO-2008071650-A2 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-06-19 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-20080242661-A1 Novel compounds useful for the treatment of degenerative & inflammatory diseases PDE4A, PDE7B, PDE4B CXCR4 1190/4885MEN1 4399/4885KMT2A 3187/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN CXCR4 2502/4885MEN1 786/4885KMT2A 3149/4885

“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.