SCHEMBL16692415

SCHEMBL16692415

N=C(NC(=N)N1CCCC1)Nc1ccc(-c2cccc(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ PAX8 Q06710 2/20 0.46
▸ ESR2 Q92731 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ CREBBP Q92793 1/20 0.41
▸ ADRB2 P07550 2/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.39
▸ HDAC3 O15379 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
SCHEMBL16692414 0.87 ALDH1A1 (0.46) ALDH1A1PAX8MAPTTDP1KMT2A
SCHEMBL14705744 0.85 ALDH1A1 (0.59) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16681725 0.85 PAX8 (0.40) ALDH1A1PAX8ESR2MAPTNPC1
SCHEMBL16692429 0.85 MEN1 (0.45) ALDH1A1RAB9ASMN1; SMN2MAPK1KMT2A
Hydrochloric Acid SCHEMBL23035299 0.84 ALDH1A1 (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14705938 0.82 KMT2A (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL16692418 0.81 POLB (0.55) ALDH1A1RAB9AKMT2AHDAC1
Hydrochloric Acid SCHEMBL23035321 0.81 KMT2A (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14705885 0.76 ALDH1A1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14705873 0.76 ALDH1A1 (0.56) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2019-05-16 — — US disclosed
US-10221190-B2 Biguanide compounds and use thereof IMMUNOMET THERAPEUTICS INC. (US) 2019-03-05 — — US disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 — — US disclosed
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF HANALL BIOPHARMA CO., LTD. (KR) 2015-05-07 — — US 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-20190144464-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ALDH1A1 2430/4885PAX8 3847/4885ESR2 3675/4885
US-20150126518-A1 BIGUANIDE COMPOUNDS AND USE THEREOF GCKR, GCG, SLC5A2 ALDH1A1 2430/4885PAX8 3847/4885ESR2 3675/4885
US-10221190-B2 Biguanide compounds and use thereof GCKR, GCG, SLC5A2 ALDH1A1 2430/4885PAX8 3847/4885ESR2 3675/4885

“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.

Send feedback