Formic Acid

Formic Acid

SCHEMBL5076802

O=C(NCc1cccc(C(F)(F)F)c1)C1CC1.O=CO

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
TSHR P16473 1/20 0.62
KDM4E B2RXH2 1/20 0.58
P2RX7 Q99572 1/20 0.56
MEN1 O00255 2/20 0.53
PLA2G1B P04054 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
MLYCD O95822 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
IDH2 P48735 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL5075663 0.95 KMT2A (0.67) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL5526975 0.88 KDM4E (0.65) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL4036835 0.87 KMT2A (0.62) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL31414598 0.87 KMT2A (0.62) KMT2ATSHRKDM4EP2RX7MEN1
Formic Acid SCHEMBL5676537 0.87 CCR2 (0.55) KMT2ATSHRKDM4ELMNAHPGD
SCHEMBL4000039 0.82 HTR2C (0.61) KMT2ATSHRKDM4EP2RX7MEN1
SCHEMBL12993450 0.81 TSHR (0.55) KMT2ATSHRKDM4EP2RX7LMNA
SCHEMBL18657812 0.81 SIGMAR1 (0.65) KMT2ATSHRKDM4E
SCHEMBL5275905 0.81 CCR2 (0.59) KMT2ATSHRKDM4ELMNAHPGD
Formic Acid SCHEMBL5071431 0.80 POLB (0.59) KMT2AP2RX7MEN1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE KMT2A 4221/4885TSHR 2730/4885KDM4E 799/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE KMT2A 4221/4885TSHR 2730/4885KDM4E 799/4885

“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.